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| CAS No.: | 141942-85-0 |
|---|---|
| Name: | Ethyl (R)-(-)-4-cyano-3-hydroxybutyate |
| Molecular Structure: | |
|
|
|
| Formula: | C7H11NO3 |
| Molecular Weight: | 157.169 |
| Synonyms: | Butanoicacid, 4-cyano-3-hydroxy-, ethyl ester, (R)-;(3R)-4-Cyano-3-hydroxybutyric acidethyl ester;(R)-Ethyl 4-cyano-3-hydroxybutanoate;Ethyl (R)-4-cyano-3-hydroxybutyrate; |
| EINECS: | 430-220-6 |
| Density: | 1.132 g/cm3 |
| Boiling Point: | 325.6 °C at 760 mmHg |
| Flash Point: | 150.7 °C |
| Appearance: | yellow liquid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 70.32000 |
| LogP: | 0.21418 |
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- 638-07-3
ethyl (2-chloroaceto)acetate
- 143-33-9
sodium cyanide
- 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate
| Conditions | Yield |
|---|---|
| With glucose dehydrogenase; ketoreductase In acetic acid butyl ester; water at 30 - 40℃; for 16h; Product distribution / selectivity; Aqueous phosphate buffer; | 98% |
- 143-33-9
sodium cyanide
- 32224-01-4, 95310-94-4, 128052-98-2, 95537-36-3
(S)-4-bromo-3-hydroxy-butyric acid ethyl ester
- 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate
| Conditions | Yield |
|---|---|
| at 50℃; for 3h; | 95% |
| In N,N-dimethyl-formamide at 20℃; | 50% |
- 773837-37-9
sodium cyanide
- 10488-69-4, 86728-85-0, 87068-18-6, 90866-33-4
ethyl (S)-4-chloro-3-hydroxybutanoate
- 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate
| Conditions | Yield |
|---|---|
| With sulfuric acid; sodium hydroxide In water at 40℃; pH=7.3; Enzymatic reaction; | 93% |
| With halohydrindehalogenase from parvibaculum lavamentivorans at 40℃; for 14h; pH=8; Kinetics; Enzymatic reaction; | 85% |
| In water; N,N-dimethyl-formamide at 50℃; for 3h; | 70% |
- 287955-93-5
(R)-3-hydroxy-4-cyano-butyric acid
- 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate
| Conditions | Yield |
|---|---|
| With sulfuric acid In ethanol | 90% |
- 1715-68-0
cyanoacetoacetic acid ethyl ester
- 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate
| Conditions | Yield |
|---|---|
| With D-glucose In phosphate buffer at 30℃; for 24h; pH=7; | 83.1% |
- 143-33-9
sodium cyanide
- 112100-39-7
(S)-4-iodo-3-hydroxy-butyric acid ethyl ester
- 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate
| Conditions | Yield |
|---|---|
| In ethanol; water at 45℃; for 3h; | 81% |
- 32224-01-4
(S)-4-bromo-3-hydroxybutyric acid,ethyl ester
- 143-33-9
sodium cyanide
- 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate
| Conditions | Yield |
|---|---|
| In water at 25 - 35℃; for 7.33h; pH=8 - 9.5; | 80% |
- 143-33-9
sodium cyanide
- 10488-69-4, 86728-85-0, 87068-18-6, 90866-33-4
ethyl (S)-4-chloro-3-hydroxybutanoate
- 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate
| Conditions | Yield |
|---|---|
| With acetic acid In water at 105 - 110℃; for 0.02125h; | 80% |
| With sodium dihydrogen phosphate monohydrate In formamide at 65℃; for 1.25h; | 76.4% |
| In water at 105℃; for 0.0133333h; | 67.4% |
- 64-17-5
ethanol
- 287955-93-5
(R)-3-hydroxy-4-cyano-butyric acid
- 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate
| Conditions | Yield |
|---|---|
| With sulfuric acid at 80℃; for 1h; | 62% |
| hydrogenchloride In diethyl ether; ethanol at 20℃; for 30h; | |
| With hydrogenchloride In diethyl ether; ethanol at 20℃; for 30h; Inert atmosphere; | |
| With hydrogenchloride In diethyl ether at 20℃; for 30h; Inert atmosphere; |
- 64-17-5
ethanol
- 287955-93-5
(R)-3-hydroxy-4-cyano-butyric acid
A
- 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate
B
- 312745-91-8
(S)-3-hydroxy-4-cyanobutyric acid ethyl ester
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 20℃; for 0.5h; Title compound not separated from byproducts.; |
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Chemistry
Molecular structure of Ethyl (R)-(-)-4-cyano-3-hydroxybutyate (CAS NO.141942-85-0) is:
Product Name: Ethyl (R)-(-)-4-cyano-3-hydroxybutyate
CAS Registry Number: 141942-85-0
IUPAC Name: ethyl (3R)-4-cyano-3-hydroxybutanoate
Molecular Weight: 157.16714 [g/mol]
Molecular Formula: C7H11NO3
XLogP3-AA: -0.5
H-Bond Donor: 1
H-Bond Acceptor: 4
EINECS: 430-220-6
Refractive index: n20/D 1.448(lit.)
Surface Tension: 44.1 dyne/cm
Density: 1.132 g/cm3
Flash Point: 150.7 °C
Enthalpy of Vaporization: 65.8 kJ/mol
Boiling Point: 325.6 °C at 760 mmHg
Vapour Pressure: 1.75E-05 mmHg at 25°C
Product Categories: Pharmaceutical Intermediates; Alcohols, Hydroxy Esters and Derivatives; Chiral Compounds; Intermediatesofatorvastatin; chiral; API intermediates
Safety Profile
Safty information about Ethyl (R)-(-)-4-cyano-3-hydroxybutyate (CAS NO.141942-85-0) is:
Hazard Codes: 
Xi
Risk Statements 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 1
Specification
Ethyl (R)-(-)-4-cyano-3-hydroxybutyate , its cas register number is 141942-85-0. It also can be called ethyl (3R)-4-cyano-3-hydroxybutanoate . It is a yellow liquid.