1-(3-iodophenyl)ethyl acetate | 90888-01-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(3-iodophenyl)ethyl acetate
• 英文别名: 3-Iod-1-<1-acetoxy-ethyl>-benzol；3-Iod-1-(1-acetoxy-ethyl)-benzol；Benzenemethanol, 3-iodo-alpha-methyl-, 1-acetate
• CAS: 90888-01-0
• 化学式: C₁₀H₁₁IO₂
• 分子量: 290.101
• InChiKey: BXMGMBSVLFBABB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.92
• 重原子数：
  13.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  26.3
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  1-(3-iodophenyl)ethan-1-ol 、 乙酸酐 在 吡啶 作用下， 生成 1-(3-iodophenyl)ethyl acetate
  参考文献：
  名称：

  Kinetic resolution of iodophenylethanols by Candida antarctica lipase and their application for the synthesis of chiral biphenyl compounds

  摘要：

  The kinetic resolution of (+/-)-iodophenylethanols was carried out using lipase from Candida antarctica and in some cases the enantiomeric excesses were high (up to >98%). Enantiomerically enriched (S)-iodophenylethanols produced by the enzymatic resolution process were used in the synthesis of chiral biphenyl compounds by the Suzuki reaction with good yields (63-65%). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2010.05.008