alpha-丙基环己基甲基乙酸酯 | 63573-84-2

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: alpha-丙基环己基甲基乙酸酯
• 英文名称: (+/-)-1-cyclohexylbutyl acetate
• 英文别名: acetic acid-(1-cyclohexyl-butyl ester)；Essigsaeure-(1-cyclohexyl-butylester)；α-propylcyclohexylmethyl acetate；Cyclohexanemethanol, alpha-propyl-, acetate；1-cyclohexylbutyl acetate
• CAS: 63573-84-2
• 化学式: C₁₂H₂₂O₂
• 分子量: 198.305
• InChiKey: VEDJYUOPZNJAGT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2915390090

反应信息

• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 铂 作用下， 生成 alpha-丙基环己基甲基乙酸酯
  参考文献：
  名称：

  Some Structural and Geometric Isomers of 1-Cyclohexyl-1,3-butadiene¹

  摘要：

  DOI：

  10.1021/ja01586a048

文献信息

• A novel lipase enzyme panel exhibiting superior activity and selectivity over lipase B from Candida antarctica for the kinetic resolution of secondary alcohols
  作者：Maeve O’Neill、Denis Beecher、David Mangan、Andrew S. Rowan、Agnieszka Monte、Stefan Sroka、Jan Modregger、Bhupinder Hundle、Thomas S. Moody

  DOI：10.1016/j.tetasy.2012.03.013

  日期：2012.4

  A novel, commercially available lipase enzyme panel performing kinetic bioresolutions of a number of secondary alcohols is reported. The secondary alcohols that have been chosen are known from the literature to be particularly challenging substrates to resolve. Following initial screening, four co-solvents were investigated for each lead enzyme in an effort to assess their tolerance to common organic solvents. The superiority of these novel enzymes over lipase B from Candida antarctica (CALB) has been demonstrated. (C) 2012 Elsevier Ltd. All rights reserved.
• Some Structural and Geometric Isomers of 1-Cyclohexyl-1,3-butadiene¹
  作者：Oliver Grummitt、Zoltan Mandel

  DOI：10.1021/ja01586a048

  日期：1956.3