(R)-ethyl 4-cyano-3-hydroxybutanoate - CAS 141942-85-0
Catalog: |
BB009274 |
Product Name: |
(R)-ethyl 4-cyano-3-hydroxybutanoate |
CAS: |
141942-85-0 |
Synonyms: |
(3R)-4-Cyano-3-hydroxybutyric Acid Ethyl Ester; (R)-4-Cyano-3-hydroxybutyric Acid Ethyl Ester; Ethyl (R)-4-Cyano-3-hydroxybutanoate |
IUPAC Name: | ethyl (3R)-4-cyano-3-hydroxybutanoate |
Description: | (R)-ethyl 4-cyano-3-hydroxybutanoate is the impuritiy of Atorvastatin, a selective, competitive HMG-CoA reductase inhibitor. |
Molecular Weight: | 157.17 |
Molecular Formula: | C7H11NO3 |
Canonical SMILES: | CCOC(=O)CC(CC#N)O |
InChI: | InChI=1S/C7H11NO3/c1-2-11-7(10)5-6(9)3-4-8/h6,9H,2-3,5H2,1H3/t6-/m1/s1 |
InChI Key: | LOQFROBMBSKWQY-ZCFIWIBFSA-N |
Boiling Point: | 325.6±27.0 °C at 760 mmHg |
Density: | 1.1±0.1 g/cm3 |
Solubility: | Soluble in Chloroform, DMSO, Methanol |
Appearance: | Colorless to Yellow Oil |
Storage: | Store at -20°C |
MDL: | MFCD00270839 |
LogP: | 0.21418 |
GHS Hazard Statement: | H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P280, P305+P351+P338, and P337+P313 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-214422651-U | Equipment for producing (R) -4-cyano-3-hydroxy ethyl butyrate | 20201130 |
CN-212915646-U | Recycling diisopropylamine dehydration device | 20200703 |
WO-2021211864-A1 | Fused tricyclic kras inhibitors | 20200416 |
US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
WO-2020069227-A1 | Printable magnetic powders and 3d printed objects for bionanocatalyst immobilization | 20180927 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.07389321 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.07389321 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 70.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.5 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS