1-benzoyl-2,2,2-trifluoroethyl 3,4-dimethoxybenzoate

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-benzoyl-2,2,2-trifluoroethyl 3,4-dimethoxybenzoate
• 英文别名: (1,1,1-Trifluoro-3-oxo-3-phenylpropan-2-yl) 3,4-dimethoxybenzoate
• 化学式: C₁₈H₁₅F₃O₅
• 分子量: 368.309
• InChiKey: WEJGFSKIMPILRZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  61.8
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  藜芦酸 在 三乙胺 作用下， 以 various solvent(s) 为溶剂， 反应 27.0h， 生成 1-benzoyl-2,2,2-trifluoroethyl 3,4-dimethoxybenzoate
  参考文献：
  名称：

  Ring-Opening of 1-CF3-Substituted Epoxy Ethers with Carboxylic, Thiocarboxylic, and Phosphinic Acids in Basic Medium and in Hexafluoro-2-propanol

  摘要：

  Ring-opening of 1-CF3-substituted epoxy ethers with carboxylic acids was achieved in Et3N as solvent, and alpha-CF3-substituted acyloins and corresponding esters were obtained in good yields. In hexafluoro-2-propanol (HFIP) as solvent, the carboxylic acids acted as nucleophiles, and alpha-carbonyloxy trifluoromethyl ketones were isolated in good yields. After reduction, CF3-substituted glycols were obtained as monoesters on one or the other hydroxy group. This reaction also allowed the preparation of alpha-carbonylsulfanyl- and alpha-phosphoryloxy trifluoromethyl ketones and corresponding alcohols. (C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.

  DOI：

  10.1002/1099-0690(200210)2002:20<3402::aid-ejoc3402>3.0.co;2-m

文献信息

• Ring-Opening of 1-CF3-Substituted Epoxy Ethers with Carboxylic, Thiocarboxylic, and Phosphinic Acids in Basic Medium and in Hexafluoro-2-propanol
  作者：Jernej Iskra、Danièle Bonnet-Delpon、Jean-Pierre Bégué

  DOI：10.1002/1099-0690(200210)2002:20<3402::aid-ejoc3402>3.0.co;2-m

  日期：2002.10

  Ring-opening of 1-CF3-substituted epoxy ethers with carboxylic acids was achieved in Et3N as solvent, and alpha-CF3-substituted acyloins and corresponding esters were obtained in good yields. In hexafluoro-2-propanol (HFIP) as solvent, the carboxylic acids acted as nucleophiles, and alpha-carbonyloxy trifluoromethyl ketones were isolated in good yields. After reduction, CF3-substituted glycols were obtained as monoesters on one or the other hydroxy group. This reaction also allowed the preparation of alpha-carbonylsulfanyl- and alpha-phosphoryloxy trifluoromethyl ketones and corresponding alcohols. (C) Wiley-VCH Verlag GmbH, 69451 Weinheim, Germany, 2002.