ethyl (3R)-4-cyano-3-hydroxybutanoate

Base Information Edit

Chemical Name:ethyl (3R)-4-cyano-3-hydroxybutanoate
CAS No.:141942-85-0
Molecular Formula:C7H11NO3
Molecular Weight:157.169
Hs Code.:29269090
European Community (EC) Number:430-220-6,604-264-3
DSSTox Substance ID:DTXSID10370024
Nikkaji Number:J1.154.378B
Wikidata:Q27452062
Mol file:141942-85-0.mol

Synonyms:141942-85-0;Ethyl (R)-(-)-4-cyano-3-hydroxybutyate;Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate;ethyl (3R)-4-cyano-3-hydroxybutanoate;(R)-4-Cyano-3-hydroxybutyric acid ethyl ester;(R)-Ethyl 4-cyano-3-hydroxybutyrate;(r)-ethyl 4-cyano-3-hydroxybutanoate;MFCD00270839;ethyl (r)-4-cyano-3-hydroxybutyrate;BUTANOIC ACID, 4-CYANO-3-HYDROXY-, ETHYL ESTER, (3R)-;(3R)-4-Cyano-3-hydroxybutanoic Acid Ethyl Ester;(R)-4-CYANO-3-HYDROXY-BUTYRIC ACID ETHYL ESTER;EC 430-220-6;(R)-(-)-4-Cyano-3-hydroxybutyric Acid Ethyl Ester;Ethyl-(R)-(+)-4-Cyano-3-Hydroxybutanoate;ethyl (3R)-4-cyano-3-hydroxy-butanoate;(R)-4-Cyano-3-hydroxy-butyricacidethylester;ETHYL (R)-4-CYANO-3-HYDROXYBUTANOATE;SCHEMBL391523;DTXSID10370024;LOQFROBMBSKWQY-ZCFIWIBFSA-N;ethyl(R)-4-cyano-3-hydroxybutyrate;AKOS015836108;AC-6759;AM84382;CS-O-31954;CS-W002591;DS-1230;ethyl ((r)-4-cyano-3-hydroxybutyrate;ethyl (r)-4-cyano-3-hydroxy-butyrate;ethyl-(r)-4-cyano-3-hydroxy butanoate;(r)-(-)-ethyl4-cyano-3-hydroxybutyrate;Ethyl(R)-(-)-4-cyano-3-hydroxybutyate;ethyl (r)-(-)-4-cyano-3-hydroxy butyrate;ETHYL(R)-4-CYANO-3-HYDROXYBUTANOATE;(R)-3-Hydroxy-4-cyanobutyric acid ethyl ester;(R)4-cyano-3-hydroxy butyric acid ethyl ester;EN300-343392;(3R)-4-Cyano-3-hydroxybutyric Acid Ethyl Ester;(R)-4-cyano-3-hydroxybutyric acid, ethyl ester;(R)-(-)-ETHYL 4-CYANO-3-HYDROXYBUTYRATE;Ethyl (R)-(-)-4-cyano-3-hydroxybutyrate, 95%;J-007571;J-520478;Q27452062;(R)-(-)-4-Cyano-3-hydroxybutyratic acid, ethyl ester;1H1

Suppliers and Price of ethyl (3R)-4-cyano-3-hydroxybutanoate

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
(3R)-4-Cyano-3-hydroxybutanoicAcidEthylEster
50g
$ 250.00

TCI Chemical
Ethyl (R)-(-)-4-Cyano-3-hydroxybutyrate >97.0%(GC)
5g
$ 47.00

TCI Chemical
Ethyl (R)-(-)-4-Cyano-3-hydroxybutyrate >97.0%(GC)
1g
$ 17.00

TCI Chemical
Ethyl (R)-(-)-4-Cyano-3-hydroxybutyrate >97.0%(GC)
25g
$ 140.00

Sigma-Aldrich
Ethyl (R)-(?)-4-cyano-3-hydroxybutyrate 95%
5g
$ 54.90

Medical Isotopes, Inc.
(3R)-4-Cyano-3-hydroxybutanoicAcidEthylEster
25 g
$ 630.00

Matrix Scientific
Ethyl (R)-(-)-4-cyano-3-hydroxybutyate 95+%
25g
$ 58.00

Matrix Scientific
Ethyl (R)-(-)-4-cyano-3-hydroxybutyate 95+%
100g
$ 165.00

Frontier Specialty Chemicals
Ethyl (R)-(?)-4-cyano-3-hydroxybutyrate 98%
5g
$ 171.00

Frontier Specialty Chemicals
Ethyl (R)-(?)-4-cyano-3-hydroxybutyrate 98%
1g
$ 56.00

Total 180 raw suppliers

Chemical Property of ethyl (3R)-4-cyano-3-hydroxybutanoate Edit

Chemical Property:

Appearance/Colour:yellow liquid
Vapor Pressure:1.75E-05mmHg at 25°C
Refractive Index:1.453
Boiling Point:325.6 °C at 760 mmHg
PKA:13.03±0.20(Predicted)
Flash Point:150.7 °C
PSA：70.32000
Density:1.132 g/cm³
LogP:0.21418
Storage Temp.:2-8°C
Solubility.:Chloroform (Sparingly), DMSO (Slightly), Methanol (Slightly)
XLogP3:-0.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:5
Exact Mass:157.07389321
Heavy Atom Count:11
Complexity:170

Purity/Quality:

99% ^*data from raw suppliers

(3R)-4-Cyano-3-hydroxybutanoicAcidEthylEster ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xi
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC(CC#N)O
Isomeric SMILES:CCOC(=O)C[C@@H](CC#N)O
Uses Atorvastatin Intermediate analgesic, antipyretic, and anti-inflammatory (3R)-4-Cyano-3-hydroxybutanoic Acid Ethyl Ester is used in a biocatalytic process for the synthesis of an atorvastatin intermediate and degredation products/impurities.

Technology Process of ethyl (3R)-4-cyano-3-hydroxybutanoate

There total 38 articles about ethyl (3R)-4-cyano-3-hydroxybutanoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

: 638-07-3
ethyl (2-chloroaceto)acetate

: 143-33-9,25596-52-5
sodium cyanide

: 141942-85-0
(R)-ethyl 4-cyano-3-hydroxybutyrate

Guidance literature:: With glucose dehydrogenase; ketoreductase; In acetic acid butyl ester; water; at 30 - 40 ℃; for 16h; Product distribution / selectivity; Aqueous phosphate buffer;