281492

ベンゾイル酢酸エチル

technical grade, 90%

• 別名: 3-オキソ-3-フェニルプロピオン酸エチル, ベンゾイル酢酸エチルエステル
• 化学式: C₆H₅COCH₂COOC₂H₅
• CAS番号: 94-02-0
• 分子量: 192.21
• Beilstein: 389944
• EC Number: 202-295-3
• MDL番号: MFCD00009196
• UNSPSCコード: 12352100
• PubChem Substance ID: 24856975
• NACRES: NA.22

特性

• グレード: technical grade
• 品質水準: 100
• 蒸気密度: 6.6 (vs air)
• アッセイ: 90%
• フォーム: liquid
• 屈折率: n20/D 1.52 (lit.)
• bp: 265-270 °C (lit.)
• 溶解性: alcohol: miscible; diethyl ether: miscible; water: insoluble
• 密度: 1.11 g/mL at 25 °C (lit.)
• 官能基: ester; ketone; phenyl
• SMILES記法: CCOC(=O)CC(=O)c1ccccc1
• InChI: 1S/C11H12O3/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
• InChI Key: GKKZMYDNDDMXSE-UHFFFAOYSA-N

詳細

詳細

Ethyl benzoylacetate is an ester. It undergoes microbial reduction by bakers′ yeast (Saccharomyces cerevisiae), Beauveria sulfurescens or Geotrichum candidum to afford ethyl (S)-3-hydroxy-3-phenylpropionate. It undergoes Claisen condensation reaction with malononitrile to afford 2-cyano-5-phenyl-3,5-dioxopentanonitrile which on cyclization followed by coupling with diazonium salts yields azo derivatives.

アプリケーション

Ethyl benzoylacetate was sed in the preparation of:

• triazipinones
• ethyl 2-fluoro-2-benzolyacetate
• 1,2,4-triazolo[1,5-a]pyrimidine antibiotic essramycin
• benzo[c]furan-4,7-diones
• iodonium ylides

包装

Packaged in glass bottles

安全性情報

• 保管分類コード: 10 - Combustible liquids
• WGK: WGK 2
• 引火点(°F): 284.0 °F - closed cup
• 引火点(℃): 140 °C - closed cup
• 個人用保護具 (PPE): Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)