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Cas Database |
| Name |
2-Butyl-5-[methanesulfonamido]benzofuran |
EINECS | N/A |
| CAS No. | 437652-07-8 | Density | 1.257 g/cm3 |
| PSA | 67.69000 | LogP | 4.30070 |
| Solubility | N/A | Melting Point |
104-106 °C |
| Formula | C13H17NO3S | Boiling Point | 399.861 °C at 760 mmHg |
| Molecular Weight | 267.349 | Flash Point | 195.629 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-Butyl-5-[methanesulfonamido]benzofuran |
Article Data | 3 |
2-Butyl-5-[methanesulfonamido]benzofuran Synthetic route
- 497225-66-8
2-n-butyl-5-bromo-benzofuran
- 3144-09-0
methanesulfonamide
- 437652-07-8
N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide
| Conditions | Yield |
|---|---|
| With bis(dibenzylideneacetone)-palladium(0); tert-butyl XPhos In 1,4-dioxane at 100℃; for 24h; Reagent/catalyst; Solvent; Inert atmosphere; | 100% |
- 141645-51-4
5-amino 2-n-butyl benzofuran
- 124-63-0
methanesulfonyl chloride
- 437652-07-8
N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide
| Conditions | Yield |
|---|---|
| With ammonia In tetrahydrofuran; tert-butyl methyl ether; water at 200℃; |
- 497225-62-4
2-(4-bromo-2-formylphenoxy)-hexanoic acid
- 437652-07-8
N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: benzenesulfonyl chloride; triethylamine / toluene; water / 80 °C 2: tert-butyl XPhos; bis(dibenzylideneacetone)-palladium(0) / 1,4-dioxane / 24 h / 100 °C / Inert atmosphere View Scheme |
- 1761-61-1
5-bromosalicyclaldehyde
- 437652-07-8
N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: potassium carbonate / N,N-dimethyl-formamide / 80 °C 2: sodium hydroxide; water / 20 - 40 °C 3: benzenesulfonyl chloride; triethylamine / toluene; water / 80 °C 4: tert-butyl XPhos; bis(dibenzylideneacetone)-palladium(0) / 1,4-dioxane / 24 h / 100 °C / Inert atmosphere View Scheme |
- 615-96-3
Ethyl 2-bromohexanoate
- 437652-07-8
N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: potassium carbonate / N,N-dimethyl-formamide / 80 °C 2: sodium hydroxide; water / 20 - 40 °C 3: benzenesulfonyl chloride; triethylamine / toluene; water / 80 °C 4: tert-butyl XPhos; bis(dibenzylideneacetone)-palladium(0) / 1,4-dioxane / 24 h / 100 °C / Inert atmosphere View Scheme |
- 1338547-28-6
ethyl 2-(4-bromo-2-formylphenoxy)-hexanoate
- 437652-07-8
N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: sodium hydroxide; water / 20 - 40 °C 2: benzenesulfonyl chloride; triethylamine / toluene; water / 80 °C 3: tert-butyl XPhos; bis(dibenzylideneacetone)-palladium(0) / 1,4-dioxane / 24 h / 100 °C / Inert atmosphere View Scheme |
- 616-05-7
2-bromohexanoic acid
- 437652-07-8
N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1.1: thionyl chloride / 5 h / Reflux 2.1: aluminum (III) chloride / dichloromethane / Cooling with ice 2.2: 20 °C 3.1: sodium hydroxide / methanol / 4 h / 65 °C 4.1: sodium tetrahydroborate / 2 h 5.1: hydrogenchloride / water / 6 h / Reflux 6.1: tetrabutyl-ammonium chloride / tetrahydrofuran / 4 h / 60 °C / Reflux View Scheme |
- 42768-46-7
2-bromohexanoyl chloride
- 437652-07-8
N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1.1: aluminum (III) chloride / dichloromethane / Cooling with ice 1.2: 20 °C 2.1: sodium hydroxide / methanol / 4 h / 65 °C 3.1: sodium tetrahydroborate / 2 h 4.1: hydrogenchloride / water / 6 h / Reflux 5.1: tetrabutyl-ammonium chloride / tetrahydrofuran / 4 h / 60 °C / Reflux View Scheme |
- 104-94-9
4-methoxy-aniline
- 437652-07-8
N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 6 steps 1.1: chloroform / 2 h / Inert atmosphere 2.1: aluminum (III) chloride / dichloromethane / Cooling with ice 2.2: 20 °C 3.1: sodium hydroxide / methanol / 4 h / 65 °C 4.1: sodium tetrahydroborate / 2 h 5.1: hydrogenchloride / water / 6 h / Reflux 6.1: tetrabutyl-ammonium chloride / tetrahydrofuran / 4 h / 60 °C / Reflux View Scheme |
- 51-66-1
4-methoxyacetanilide
- 437652-07-8
N-(2-butyl-2,3-dihydro-5-benzofuranyl)methanesulfonamide
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1.1: aluminum (III) chloride / dichloromethane / Cooling with ice 1.2: 20 °C 2.1: sodium hydroxide / methanol / 4 h / 65 °C 3.1: sodium tetrahydroborate / 2 h 4.1: hydrogenchloride / water / 6 h / Reflux 5.1: tetrabutyl-ammonium chloride / tetrahydrofuran / 4 h / 60 °C / Reflux View Scheme |
2-Butyl-5-[methanesulfonamido]benzofuran Specification
The CAS register number of 2-Butyl-5-[methanesulfonamido]benzofuran is 437652-07-8. It also can be called as Methanesulfonamide, N-(2-butyl-5-benzofuranyl)- and the systematic name about this chemical is N-(2-butyl-1-benzofuran-5-yl)methanesulfonamide. The molecular formula about this chemical is C13H17NO3S and the molecular weight is 267.34. It belongs to the API.
Physical properties about 2-Butyl-5-[methanesulfonamido]benzofuran are: (1)ACD/LogP: 3.97; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 249; (5)ACD/BCF (pH 7.4): 248; (6)ACD/KOC (pH 5.5): 1807; (7)ACD/KOC (pH 7.4): 1800; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 67.69Å2; (12)Index of Refraction: 1.596; (13)Molar Refractivity: 72.405 cm3; (14)Molar Volume: 212.663 cm3; (15)Polarizability: 28.704x10-24cm3; (16)Surface Tension: 49.235 dyne/cm; (17)Enthalpy of Vaporization: 65.064 kJ/mol; (18)Boiling Point: 399.861 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(Nc2cc1c(oc(c1)CCCC)cc2)C
(2)InChI: InChI=1/C13H17NO3S/c1-3-4-5-12-9-10-8-11(14-18(2,15)16)6-7-13(10)17-12/h6-9,14H,3-5H2,1-2H3
(3)InChIKey: HACDESLXZXBASP-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C13H17NO3S/c1-3-4-5-12-9-10-8-11(14-18(2,15)16)6-7-13(10)17-12/h6-9,14H,3-5H2,1-2H3
(5)Std. InChIKey: HACDESLXZXBASP-UHFFFAOYSA-N
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