16503

2-溴-2-丁烯酸甲酯

(cis+trans), ≥95.0% (GC)

• 别名: 2-溴代巴豆酸甲酯
• 线性分子式: CH₃CH=CBrCOOCH₃
• CAS号: 17642-18-1
• 分子量: 179.01
• Beilstein: 1700999
• EC號碼: 241-627-1
• MDL號碼: MFCD00042891
• 分類程式碼代碼: 12352100
• PubChem物質ID: 57647571
• NACRES: NA.22

属性

• 化驗: ≥95.0% (GC)
• 折射率: n20/D 1.486
• bp: 178-182 °C (lit.)
• 密度: 1.505 g/mL at 20 °C (lit.)
• 儲存溫度: 2-8°C
• SMILES 字串: COC(=O)C(Br)=CC
• InChI: 1S/C5H7BrO2/c1-3-4(6)5(7)8-2/h3H,1-2H3
• InChI 密鑰: DMKWWKUPZZAUQL-UHFFFAOYSA-N

说明

一般說明

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.

安全信息

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H315 - H319 - H335
• 防範說明: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• 危險分類: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• 標靶器官: Respiratory system
• 儲存類別代碼: 10 - Combustible liquids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: 145.4 °F - closed cup
• 閃點（°C）: 63 °C - closed cup
• 個人防護裝備: Eyeshields, Gloves, type ABEK (EN14387) respirator filter