16503

Methyl 2-bromo-2-butenoate

(cis+trans), ≥95.0% (GC)

• 別名: Methyl 2-bromocrotonate
• 化学式: CH₃CH=CBrCOOCH₃
• CAS番号: 17642-18-1
• 分子量: 179.01
• Beilstein: 1700999
• EC Number: 241-627-1
• MDL番号: MFCD00042891
• UNSPSCコード: 12352100
• PubChem Substance ID: 57647571
• NACRES: NA.22

特性

• アッセイ: ≥95.0% (GC)
• 屈折率: n20/D 1.486
• bp: 178-182 °C (lit.)
• 密度: 1.505 g/mL at 20 °C (lit.)
• 官能基: bromo; ester
• 保管温度: 2-8°C
• SMILES記法: COC(=O)C(Br)=CC
• InChI: 1S/C5H7BrO2/c1-3-4(6)5(7)8-2/h3H,1-2H3
• InChI Key: DMKWWKUPZZAUQL-UHFFFAOYSA-N

詳細

詳細

Methyl 2-bromo-2-butenoate(Methyl (Z)-2-bromocrotonate) yields (S)-2-bromobutanoic acid by baker′s yeast fermentation. It undergoes biotransformation catalyzed by old yellow enzyme to yield methyl (S)-2-bromobutanoate, a key intermediate for the synthesis of chiral drugs. It is a biannelating reagent which participates in double Michael-additions.

安全性情報

• ピクトグラム: GHS07
• シグナルワード: Warning
• 危険有害性情報: H315,H319,H335
• 注意書き: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• 危険有害性の分類: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• ターゲットの組織: Respiratory system
• 保管分類コード: 10 - Combustible liquids
• WGK: WGK 3
• 引火点(°F): 145.4 °F - closed cup
• 引火点(℃): 63 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Gloves, type ABEK (EN14387) respirator filter