(1RS,2SR)-1-(4'-chlorophenyl)-2-phenylethane-1,2-diol | 62086-75-3

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: (1RS,2SR)-1-(4'-chlorophenyl)-2-phenylethane-1,2-diol
• 英文别名: (+/-)-erythro-1-(4-Chlorphenyl)-2-phenylethandiol；erythro-p-Chlordiphenylethandiol；(1R,2S)-1-(4-chlorophenyl)-2-phenylethane-1,2-diol
• CAS: 62086-75-3；62086-76-4；66768-15-8；66768-18-1
• 化学式: C₁₄H₁₃ClO₂
• 分子量: 248.709
• InChiKey: JKHLGCIYBRKEGD-UONOGXRCSA-N

物化性质

• 沸点：
  406.6±40.0 °C(Predicted)
• 密度：
  1.299±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  扁桃腈 在 lithium aluminium tetrahydride 、 air 、 copper(II) sulfate 作用下， 以 吡啶 、 乙醚 为溶剂， 生成 (1RS,2SR)-1-(4'-chlorophenyl)-2-phenylethane-1,2-diol
  参考文献：
  名称：

  Microbial reduction of a series of substituted benzils. Optical properties and nuclear magnetic resonance spectra of products

  摘要：

  DOI：

  10.1021/jo00411a012

文献信息

• Studies on biotransformation of (±)-1-(4′-chlorophenyl)-2-phenylethanol
  作者：Antonio J. Bustillo、Carlos M. Garcı́a-Pajón、Josefina Aleu、Rosario Hernández-Galán、Isidro G. Collado

  DOI：10.1016/j.tetasy.2003.08.026

  日期：2003.11

  The metabolism of (+/-)-1-4'-chlorophenyl)-2-phenylethanol 1 by the phytopathogenic fungi Colletotrichum gloeosporioides and Botrytis cinerea has been studied. Regioselective monooxygenase-catalyzed hydroxylation of C-H bonds yielded the corresponding diols, the ratios of which showed a clear preference for the C-H benzylic bond. in-Hydroxylation in the substituted aromatic ring, a rarely described phenomenon, has been observed and with good enantioselectivity. The chemistry involved ill determining the configuration of the biotransformation products is also described. (C) 2003 Elsevier Ltd. All rights reserved.
• Microbial reduction of a series of substituted benzils. Optical properties and nuclear magnetic resonance spectra of products
  作者：Mitsuru Imuta、Herman Ziffer

  DOI：10.1021/jo00411a012

  日期：1978.8