218456

3-メチル-2-オキソ酪酸エチル

97%

• 別名: ケトバリンエチルエステル, ジメチルピルビン酸エチル
• 化学式: (CH₃)₂CHCOCOOCH₂CH₃
• CAS番号: 20201-24-5
• 分子量: 144.17
• Beilstein: 1756668
• EC Number: 243-587-0
• MDL番号: MFCD00009122
• UNSPSCコード: 12352100
• PubChem Substance ID: 24853067
• NACRES: NA.22

特性

• アッセイ: 97%
• 屈折率: n20/D 1.410 (lit.)
• bp: 62 °C/11 mmHg (lit.)
• 密度: 0.989 g/mL at 25 °C (lit.)
• 保管温度: 2-8°C
• SMILES記法: CCOC(=O)C(=O)C(C)C
• InChI: 1S/C7H12O3/c1-4-10-7(9)6(8)5(2)3/h5H,4H2,1-3H3
• InChI Key: CKTYYUQUWFEUCO-UHFFFAOYSA-N

詳細

詳細

Ethyl 3-methyl-2-oxobutyrate reacts with a variety of allyl halides in the presence of indium to afford hydroxy unsaturated carbonyl compounds. Conformational behaviour of ethyl 3-methyl-2-oxobutyrate was investigated using solution FTIR in combination with ab initio calculations.

アプリケーション

Ethyl 3-methyl-2-oxobutyrate was used in the synthesis of (2SR,4SR)-5(S)-(N-Boc)-amino-6-cyclohexyl-4-hydoxy-2-isopropyl hexanoic acid.

安全性情報

• ピクトグラム: GHS02
• シグナルワード: Warning
• 危険有害性情報: H226
• 注意書き: P210 - P233 - P240 - P241 - P242 - P243
• 危険有害性の分類: Flam. Liq. 3
• 保管分類コード: 3 - Flammable liquids
• WGK: WGK 3
• 引火点(°F): 109.4 °F - closed cup
• 引火点(℃): 43 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter