CAS 127913-44-4

(S)-(-)-4-chloro 3-hydroxybutyronitrile

Description:

(S)-(-)-4-chloro-3-hydroxybutyronitrile, with the CAS number 127913-44-4, is a chiral organic compound characterized by its specific stereochemistry and functional groups. It features a hydroxyl group (-OH) and a nitrile group (-CN) attached to a butyronitrile backbone, along with a chlorine atom at the fourth carbon position. This compound is typically a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. Its chirality indicates that it exists in two enantiomeric forms, with the (S)-(-) configuration being the biologically active form. The presence of the hydroxyl group suggests potential for hydrogen bonding, influencing its solubility in polar solvents. Additionally, the nitrile group contributes to its reactivity, making it useful in various synthetic applications, particularly in pharmaceutical chemistry. The compound's specific properties, such as melting point, boiling point, and solubility, can vary based on purity and environmental conditions, but it is generally handled with care due to its potential biological activity and reactivity.

Formula: C₄H₆ClNO

InChI: InChI=1/C4H6ClNO/c5-3-4(7)1-2-6/h4,7H,1,3H2/t4-/m0/s1

SMILES: C(C#N)[C@@H](CCl)O

Synonyms:

• S-(-)-4-chloro-3-hydorxy butyronitrile
• (3S)-4-chloro-3-hydorxybutyronitrile
• (3R)-4-chloro-3-hydroxybutanenitrile
• (3S)-4-chloro-3-hydroxybutanenitrile

(S)-(-)-4-Chloro-3-hydroxybutyronitrile

CAS: 127913-44-4

Formula: C₄H₆ClNO

Purity: >98.0%(GC)

Color and Shape: Colorless to Light yellow clear liquid

Molecular weight: 119.55

Ref: 3B-C3331

Butanenitrile, 4-chloro-3-hydroxy-, (3S)-

CAS: 127913-44-4

Formula: C₄H₆ClNO

Purity: 97%

Color and Shape: Liquid

Molecular weight: 119.5495

Ref: IN-DA000XKP

(S)-4-Chloro-3-hydroxybutyronitrile

CAS: 127913-44-4

(S)-4-Chloro-3-hydroxybutyronitrile

Purity: 98%

Molecular weight: 119.55g/mol

Ref: 54-OR912506

(3S)-4-Chloro-3-hydroxybutyronitrile

Controlled Product

CAS: 127913-44-4

Applications (3S)-4-Chloro-3-hydroxybutyronitrile is used in various organic precursor syntheses. It is used in the synthesis of hydroxypyrrolidinones to by used as carbapenem precursors. Also used in the preparation of atorvastatin (A791750) precursors. Impurity in the synthesis of Rosuvastatin (R700500), a selective, competitive HMG-CoA reductase inhibitor. Antilipemic.
References Kanno, O. et al.: Hetero., 53, 173 (2000); Watanabe, M., et al.: Bioorg. Med. Chem., 5, 437 (1997), Lee, E., et al.: Clin. Pharmacol. Ther., 78, 330 (2005), Ferdinand, K.C., et al.: Am. J. Cardiol., 97, 229 (2006); Jiang, C. et al.: Lett. Org. Chem., 9, 520 (2012);

Formula: C₄H₆ClNO

Color and Shape: Neat

Molecular weight: 119.55

Ref: TR-C366605

(S)-4-Chloro-3-hydroxybutyronitrile

CAS: 127913-44-4

Formula: C₄H₆ClNO

Purity: 97%

Color and Shape: Liquid

Molecular weight: 119.55

Ref: 10-F092339

Rosuvastatin Impurity 13

CAS: 127913-44-4

Formula: C₄H₆ClNO

Molecular weight: 119.55

Ref: ST-EA-CP-R1092