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Cas Database |
| Name |
3,3-Diethoxy-propionic acid |
EINECS | N/A |
| CAS No. | 6191-97-5 | Density | 1.068 g/cm3 |
| PSA | 55.76000 | LogP | 0.86020 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C7H14O4 | Boiling Point | 236.7 °C at 760 mmHg |
| Molecular Weight | 162.186 | Flash Point | 89.3 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
3,3-diethoxypropanoic acid; |
Article Data | 21 |
3,3-Diethoxy-propionic acid Synthetic route
- 10601-80-6
ethyl 3,3-diethoxypropanoate
- 6191-97-5
3,3-diethoxypropanoic acid
| Conditions | Yield |
|---|---|
| With sodium hydroxide In water for 0.75h; Reflux; | 97% |
| Stage #1: ethyl 3,3-diethoxypropanoate With water; sodium hydroxide at 100℃; for 1h; Stage #2: With hydrogenchloride In water | 96% |
| Stage #1: ethyl 3,3-diethoxypropanoate With sodium hydroxide In water at 100℃; for 1h; Stage #2: With hydrogenchloride In water | 96% |
- 6191-97-5
3,3-diethoxypropanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 3,3-diethoxy-N-(quinolin-8-yl)propanamide With dmap; di-tert-butyl dicarbonate In tetrahydrofuran at 60℃; for 0.25h; Sealed tube; Stage #2: With potassium hydroxide In tetrahydrofuran; water at 60℃; for 0.0833333h; Sealed tube; | 85% |
| Conditions | Yield |
|---|---|
| With sodium ethanolate In ethanol for 48h; Ambient temperature; |
- 83124-74-7
4-ethoxy-1,1,1-trichloro-3-buten-2-one
- 6191-97-5
3,3-diethoxypropanoic acid
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: potassium carbonate / 17 h / 0 - 20 °C / Inert atmosphere 2: sodium hydroxide; water / 2 h / 85 °C View Scheme |
- 6191-97-5
3,3-diethoxypropanoic acid
- 6191-99-7, 99471-66-6
(2E)-3-ethoxyprop-2-enoyl chloride
| Conditions | Yield |
|---|---|
| With thionyl chloride at 80℃; for 1.25h; | 98% |
| With thionyl chloride at 0 - 80℃; for 1h; |
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 3h; | 97% |
- 6191-97-5
3,3-diethoxypropanoic acid
| Conditions | Yield |
|---|---|
| Stage #1: 3,3-diethoxypropanoic acid With triethylamine In toluene at 20℃; for 2h; Stage #2: (5R,6S,7S)-5-(4-(3-(benzyloxy)phenyl)butyl)-3,3-diethyl-6,10,10,13,13,14,14-heptamethyl-9-oxo-4,12-dioxa-3,13-disilapentadecan-7-yl (R)-4-(benzyloxy)-3-hydroxybutanoate With dmap In toluene at 20℃; for 2.5h; | 90% |
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0℃; for 6h; Inert atmosphere; | 85% |
| Conditions | Yield |
|---|---|
| With dmap; dicyclohexyl-carbodiimide In dichloromethane at 0 - 20℃; for 16.5h; | 75% |
| Conditions | Yield |
|---|---|
| With thionyl chloride at 80℃; for 1.66667h; Cooling with ice; | 73% |
| With thionyl chloride at 80℃; for 1.66667h; | 73% |
| With thionyl chloride at 80℃; for 1.66667h; Cooling with ice; | 73% |
3,3-Diethoxy-propionic acid Specification
The 3,3-Diethoxy-propionic acid is an organic compound with the formula C7H14O4. The systematic name of this chemical is 3,3-Diethoxypropanoic acid. With the CAS registry number 6191-97-5, it is also named as Propanoic acid, 3,3-diethoxy-. Besides, its molecular weight is 162.1837.
Physical properties about 3,3-Diethoxy-propionic acid are: (1)ACD/LogP: 1.27; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 2.61; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 44.76 Å2; (10)Index of Refraction: 1.433; (11)Molar Refractivity: 39.49 cm3; (12)Molar Volume: 151.8 cm3; (13)Polarizability: 15.65×10-24 cm3; (14)Surface Tension: 34.9 dyne/cm; (15)Density: 1.068 g/cm3; (16)Flash Point: 89.3 °C; (17)Enthalpy of Vaporization: 52.15 kJ/mol; (18)Boiling Point: 236.7 °C at 760 mmHg; (19)Vapour Pressure: 0.016 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C7H14O4/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
(2)InChIKey: AKTDHHFJFNIILG-UHFFFAOYAK
(3)Std. InChI: InChI=1S/C7H14O4/c1-3-10-7(11-4-2)5-6(8)9/h7H,3-5H2,1-2H3,(H,8,9)
(4)Std. InChIKey: AKTDHHFJFNIILG-UHFFFAOYSA-N
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