acetoxy-2-t-butylphenylacetonitrile | 1360804-82-5

• 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: acetoxy-2-t-butylphenylacetonitrile
• CAS: 1360804-82-5
• 化学式: C₁₄H₁₇NO₂
• 分子量: 231.294
• InChiKey: TZDSVSCSWFABIY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.11
• 重原子数：
  17.0
• 可旋转键数：
  2.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  50.09
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  acetoxy-2-t-butylphenylacetonitrile 在 Candida cylindracea lipase C₁ 、 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 26.0h， 生成 2-(1,1-二甲基乙基)-苯甲醛
  参考文献：
  名称：

  A practical chemo-enzymatic approach to highly enantio-enriched cyanohydrin acetates

  摘要：

  The preparation of enantiopure cyanohydrin acetates via enzymatic hydrolysis has been investigated by screening a range of biocatalysts and reaction conditions. Enzymatic resolution has been optimised through variation of the hydrolase biocatalyst and reaction conditions leading to synthetically useful routes to enantiopure cyanohydrin acetates. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.11.022

文献信息

• A practical chemo-enzymatic approach to highly enantio-enriched cyanohydrin acetates
  作者：Nuala M. Maguire、Alan Ford、Sarah L. Clarke、Kevin S. Eccles、Simon E. Lawrence、Maude Brossat、Thomas S. Moody、Anita R. Maguire

  DOI：10.1016/j.tetasy.2011.11.022

  日期：2011.12

  The preparation of enantiopure cyanohydrin acetates via enzymatic hydrolysis has been investigated by screening a range of biocatalysts and reaction conditions. Enzymatic resolution has been optimised through variation of the hydrolase biocatalyst and reaction conditions leading to synthetically useful routes to enantiopure cyanohydrin acetates. (C) 2011 Elsevier Ltd. All rights reserved.