559180

(3-甲基苯甲酰基)乙酸乙酯

• 别名: 3-Oxo-3-(m-tolyl)propionic acid ethyl ester, Ethyl 2-(3-methylbenzoyl)acetate, Ethyl 3-oxo-3-(m-tolyl)propanoate, Ethyl 3-oxo-3-(m-tolyl)propionate, Ethyl m-methylbenzoylacetate, Ethyl m-toluoylacetate
• 线性分子式: CH₃C₆H₄COCH₂CO₂CH₂CH₃
• CAS号: 33166-79-9
• 分子量: 206.24
• MDL號碼: MFCD03424816
• 分類程式碼代碼: 12352100
• PubChem物質ID: 24879802
• NACRES: NA.22

属性

• 折射率: n20/D 1.5290 (lit.)
• 品質等級: 100
• bp: 273-274 °C (lit.)
• 密度: 1.083 g/mL at 25 °C (lit.)
• 官能基: ester; ketone
• SMILES 字串: CCOC(=O)CC(=O)c1cccc(C)c1
• InChI: 1S/C12H14O3/c1-3-15-12(14)8-11(13)10-6-4-5-9(2)7-10/h4-7H,3,8H2,1-2H3
• InChI 密鑰: LLFKVNDSLHMEQC-UHFFFAOYSA-N

说明

應用

Reactant for:

• Stereoselective ketonization-olefination of indoles by Co/Mn-mediated oxidative cross-coupling of indoles via dioxygen activation
• Enantioselective Michael reaction
• SEGPhos-ruthenium-catalyzed asymmetric hydrogenation

安全信息

• 儲存類別代碼: 10 - Combustible liquids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: Eyeshields, Gloves