Benzoic acid 2-chloro-3-oxo-1,3-diphenyl-propyl ester | 110195-07-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: Benzoic acid 2-chloro-3-oxo-1,3-diphenyl-propyl ester
• 英文别名: (2-Chloro-3-oxo-1,3-diphenylpropyl) benzoate
• CAS: 110195-07-8
• 化学式: C₂₂H₁₇ClO₃
• 分子量: 364.828
• InChiKey: XXHLNNRFQYHGMN-UHFFFAOYSA-N

物化性质

• 沸点：
  531.9±50.0 °C(Predicted)
• 密度：
  1.245±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  43.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  查耳酮Alpha 、 苯甲酰氯 在 yttrium(III) chloride 作用下， 以 二氯甲烷 为溶剂， 生成 Benzoic acid 2-chloro-3-oxo-1,3-diphenyl-propyl ester
  参考文献：
  名称：

  Yttrium Compounds: New Catalysts for the Regioselective Acylative Cleavage of Epoxides

  摘要：

  The use of Cp2YCl and YCl3 as effective catalysts for the regioselective acylative cleavage of epoxides, especially for the conversion of alpha,beta-epoxy-ketones to alpha-chloroenones is described.

  DOI：

  10.1080/00397919408010236

文献信息

• Remarkable dependency of the regioselectivity in the ring opening of α,β-epoxyketones upon tin halide-Lewis base complexes as catalysts
  作者：Ikuya Shibata、Naritoshi Yoshimura、Akio Baba、Haruo Matsuda

  DOI：10.1016/s0040-4039(00)60859-6

  日期：1992.11

  Tin halide-base complexes are used as catalysts for controlling the regioselectivity in the reaction of alpha,beta-epoxyketones with electrophiles. Bu2SnX2-Ph3P complex caused the cleavage of the C-O bond adjacent to the carbonyl group. SnCl2-base complex resulted in the opposite regioselectivity. By using PhCOCl and TsN=C=O as electrophiles, haloesters and 2-oxazolidone were obtained.
• Yttrium Compounds: New Catalysts for the Regioselective Acylative Cleavage of Epoxides
  作者：Changtao Qian、Dunming Zhu

  DOI：10.1080/00397919408010236

  日期：1994.8

  The use of Cp2YCl and YCl3 as effective catalysts for the regioselective acylative cleavage of epoxides, especially for the conversion of alpha,beta-epoxy-ketones to alpha-chloroenones is described.