460524

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

96%

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

속성

• Quality Level: 100
• 분석: 96%
• 광학 활성: [α]23/D −14°, neat
• 광학 순도: 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.)
• 작용기: 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

설명

일반 설명

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

애플리케이션

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.

안전성 정보

• 픽토그램: GHS05,GHS07
• 신호어: Danger
• 유해 및 위험 성명서: H302,H318
• 예방조치 성명서: P280 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 4 Oral - Eye Dam. 1
• Storage Class Code: 10 - Combustible liquids
• WGK: WGK 3
• Flash Point (°F): 235.4 °F - closed cup
• Flash Point (°C): 113 °C - closed cup
• 개인 보호 장비: Eyeshields, Gloves, type ABEK (EN14387) respirator filter