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Cas Database |
| Name |
4-Nitrophenyl butyrate |
EINECS | 258-258-3 |
| CAS No. | 2635-84-9 | Density | 1.216 g/cm3 |
| PSA | 72.12000 | LogP | 2.82350 |
| Solubility | Chloroform: 0.1 g/mL, clear, faintly yellow | Melting Point |
N/A |
| Formula | C10H11NO4 | Boiling Point | 323.2 °C at 760 mmHg |
| Molecular Weight | 209.202 | Flash Point | 144.8 °C |
| Transport Information | N/A | Appearance | Clear light brown liquid |
| Safety | 36/37 | Risk Codes | 43 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
4-Nitrophenyl butanoate;Butanoic acid p-nitrophenyl ester;(4-Nitrophenyl) butanoate;4-Nitrophenyl butyrate;Butanoic acid,4-nitrophenyl ester (9CI);Butyric acid,p-nitrophenyl ester;Butyric acid, p-nitrophenyl ester (8CI);p-Nitrophenol butyrate;p-Nitrophenyl butyrate; |
Article Data | 23 |
4-Nitrophenyl butyrate Synthetic route
Conditions
| Conditions | Yield |
|---|---|
| With pyridine In dichloromethane at 0℃; for 3h; | 99% |
| With iodine; magnesium; benzene | |
| With magnesium; benzene |
Conditions
| Conditions | Yield |
|---|---|
| With dicyclohexyl-carbodiimide In ethyl acetate at 20℃; Inert atmosphere; | 90% |
| With dmap; dicyclohexyl-carbodiimide In dimethyl sulfoxide at 20℃; for 8h; | 81.5% |
| Stage #1: butyric acid With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 0.5h; Stage #2: 4-nitro-phenol In dichloromethane at 0℃; for 6h; | 70% |
- 14617-88-0
(E)-4-nitrophenyl but-2-enoate
- 2635-84-9
p-nitrophenyl butyrate
Conditions
| Conditions | Yield |
|---|---|
| With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; 3,4-dihydro-2H-benzo[4,5]thiazolo[3,2-a]pyrimidine In toluene at 110℃; for 1h; | 59% |
| With tri-n-butyl-tin hydride; magnesium bromide In dichloromethane at 0℃; for 27h; | 40% |
| With tri-n-butyl-tin hydride; magnesium bromide In dichloromethane at 0℃; for 27h; | 40% |
Conditions
| Conditions | Yield |
|---|---|
| In 1,4-dioxane; pyridine for 2h; Ambient temperature; | 52% |
Conditions
| Conditions | Yield |
|---|---|
| With [RhCl2(p-cymene)]2; oxygen; caesium carbonate; 1,3-bis[(2,6-diisopropyl)phenyl]imidazolinium chloride In 5,5-dimethyl-1,3-cyclohexadiene at 130℃; for 24h; | 50% |
Conditions
| Conditions | Yield |
|---|---|
| With 2-(cyclohexylamino)ethanesulfonic acid In acetonitrile at 27℃; Equilibrium constant; |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 29 steps 1: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 2: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 3: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 4: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 5: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 6: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 7: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 8: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 9: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 10: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 11: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 12: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 13: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 14: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 15: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 16: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 17: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 18: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 19: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 20: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 21: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 22: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 23: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 24: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 25: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 26: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 27: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 28: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 29: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme | |
| Multi-step reaction with 11 steps 1: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 2: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 3: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 4: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 5: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 6: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 7: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 8: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 9: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 10: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 11: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme | |
| Multi-step reaction with 11 steps 1: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 2: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 3: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 4: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 5: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 6: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 7: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 8: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 9: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 10: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 11: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 22 steps 1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 3: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 7: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 9: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 17: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 19: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 20: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 21: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 22: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme | |
| Multi-step reaction with 18 steps 1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 3: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 7: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 9: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 17: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme | |
| Multi-step reaction with 20 steps 1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 3: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 7: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 9: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 17: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 19: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 20: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme |
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 26 steps 1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 7: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 9: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 17: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 19: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 20: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 21: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 22: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 23: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 24: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 25: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 26: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme | |
| Multi-step reaction with 22 steps 1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 7: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 9: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 17: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 19: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 20: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 21: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 22: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme | |
| Multi-step reaction with 24 steps 1: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 7: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 9: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 11: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 12: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 13: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 14: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 15: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 16: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 17: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 18: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 19: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 20: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 21: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 22: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 23: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 24: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme |
- 13551-17-2
4-nitrophenyl ester cyclohexanecarboxylic acid
- 2635-84-9
p-nitrophenyl butyrate
Conditions
| Conditions | Yield |
|---|---|
| Multi-step reaction with 10 steps 1: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 7: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 9: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme | |
| Multi-step reaction with 10 steps 1: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 5: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 7: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 9: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme | |
| Multi-step reaction with 10 steps 1: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 2: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 3: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 4: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 5: Bacillus subtilis 168 PnbA esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 6: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 7: Candida antarctica lipase B / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 8: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C 9: Bacillus subtilis 168 SrfAD esterase / dimethyl sulfoxide / 0.05 h / 30 °C / pH 7 / aq. phosphate buffer; Enzymatic reaction 10: dmap; dicyclohexyl-carbodiimide / dimethyl sulfoxide / 8 h / 20 °C View Scheme |
4-Nitrophenyl butyrate Specification
The Butanoic acid,4-nitrophenyl ester, with the CAS registry number of 2635-84-9, is also known as Butanoic acid p-nitrophenyl ester. The molecular formula of this chemical is C10H11NO4 and its molecular weight is 209.2. What's more, its IUPAC name is (4-Nitrophenyl) butanoate. In addition, it must be stored at 2-8 °C and placed in a dry, cool place.
Physical properties about Butanoic acid,4-nitrophenyl ester are: (1)ACD/LogP: 2.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.55; (4)ACD/LogD (pH 7.4): 2.55; (5)ACD/BCF (pH 5.5): 51.29; (6)ACD/BCF (pH 7.4): 51.29; (7)ACD/KOC (pH 5.5): 583; (8)ACD/KOC (pH 7.4): 583; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 72.12 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 53.4 cm3; (15)Molar Volume: 171.9 cm3; (16)Polarizability: 21.17×10-24 cm3; (17)Surface Tension: 44.4 dyne/cm; (18)Density: 1.216 g/cm3; (19)Flash Point: 144.8 °C; (20)Enthalpy of Vaporization: 56.51 kJ/mol; (21)Boiling Point: 323.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000266 mmHg at 25 °C.
Preparation of Butanoic acid,4-nitrophenyl ester: this chemical is prepared by reaction of Butyric acid anhydride with 4-Nitro-phenol at ambient temperature. This reaction needs reagents Dioxane and Pyridine. The reaction time is 2 hours. The yield is about 52 %.
Uses of Butanoic acid,4-nitrophenyl ester: it is used to produce other chemicals. For example, it is used to produce p-Aminophenylbutyrat. This reaction needs reagent Hydrogen, catalyst Platinum oxide and solvent Ethanol. The yield is about 93 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it may cause sensitisation by skin contact. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing and gloves.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccc(cc1)[N+]([O-])=O)CCC
(2) InChI: InChI=1/C10H11NO4/c1-2-3-10(12)15-9-6-4-8(5-7-9)11(13)14/h4-7H,2-3H2,1H3
(3) InChIKey: DVDUMIQZEUTAGK-UHFFFAOYAM
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P-NITROPHENYL BUTYRATE
