(R)-1-(2',4'-dichlorophenyl)prop-2-yn-1-ol

• 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: (R)-1-(2',4'-dichlorophenyl)prop-2-yn-1-ol
• 英文别名: (1R)-1-(2,4-dichlorophenyl)prop-2-yn-1-ol
• 化学式: C₉H₆Cl₂O
• 分子量: 201.052
• InChiKey: ZKTZQWUICGZQHL-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  乙酸乙烯酯 、 1-(2,4-二氯苯基)丙-2-炔-1-醇 在 Novozym 435 作用下， 反应 11.0h， 以47%的产率得到(R)-1-(2',4'-dichlorophenyl)prop-2-yn-1-ol acetate
  参考文献：
  名称：

  Novozym-435-catalyzed enzymatic separation of racemic propargylic alcohols. A facile route to optically active terminal aryl propargylic alcohols

  摘要：

  Novozym-435 (a form of Candida antarctica lipase B) was found to be an effective biocatalyst for the kinetic resolution of a variety of racemic terminal aryl propargylic alcohols affording highly optically active (S)-propargylic alcohols and (R)-propargylic alcohol acetates in high yields and good ees. The advantages of this reaction are the easy availability of starting materials and the biocatalyst, simple reaction conditions, easy operation and high stereoselectivity. (C) 2003 Published by Elsevier Ltd.

  DOI：

  10.1016/s0040-4039(03)01528-4

文献信息

• Novozym-435-catalyzed enzymatic separation of racemic propargylic alcohols. A facile route to optically active terminal aryl propargylic alcohols
  作者：Daiwang Xu、Zuyi Li、Shengming Ma

  DOI：10.1016/s0040-4039(03)01528-4

  日期：2003.8

  Novozym-435 (a form of Candida antarctica lipase B) was found to be an effective biocatalyst for the kinetic resolution of a variety of racemic terminal aryl propargylic alcohols affording highly optically active (S)-propargylic alcohols and (R)-propargylic alcohol acetates in high yields and good ees. The advantages of this reaction are the easy availability of starting materials and the biocatalyst, simple reaction conditions, easy operation and high stereoselectivity. (C) 2003 Published by Elsevier Ltd.