460524

Ethyl (S)-(−)-4-chloro-3-hydroxybutyrate

96%

• Linear Formula: ClCH₂CH(OH)CH₂CO₂C₂H₅
• CAS Number: 86728-85-0
• Molecular Weight: 166.60
• Beilstein/REAXYS Number: 4657170
• MDL number: MFCD00211241
• UNSPSC Code: 12352101
• PubChem Substance ID: 24869707
• NACRES: NA.22

Properties

• Quality Level: 100
• assay: 96%
• optical activity: [α]23/D −14°, neat
• optical purity: ee: 97% (GLC)
• refractive index: n20/D 1.453 (lit.)
• bp: 93-95 °C/5 mmHg (lit.)
• density: 1.19 g/mL at 25 °C (lit.)
• functional group: chloro; ester; hydroxyl
• SMILES string: CCOC(=O)C[C@H](O)CCl
• InChI: 1S/C6H11ClO3/c1-2-10-6(9)3-5(8)4-7/h5,8H,2-4H2,1H3/t5-/m0/s1
• InChI key: ZAJNMXDBJKCCAT-YFKPBYRVSA-N

Description

General description

Ethyl (S)-4-chloro-3-hydroxybutanoate is a chiral intermediate generally used to prepare atorvastatin, a cholesterol-lowering drug.

Application

Ethyl (S)-(−)-4-chloro-3-hydroxybutyrate can be used as a starting material in the synthesis of 4-amino-3-hydroxybutyric acid, a compound of pharmacological importance.

Safety Information

• pictograms: GHS05,GHS07
• signalword: Danger
• hcodes: H302,H318
• pcodes: P280 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter