(1S,2S,5S)-1,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol | 95272-75-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氧杂环己烷
• 英文名称: (1S,2S,5S)-1,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol
• 英文别名: 6-Oxabicyclo[3.2.1]octan-4-ol, 5,7,7-trimethyl-, exo-；(1S,4S,5S)-5,7,7-trimethyl-6-oxabicyclo[3.2.1]octan-4-ol
• CAS: 95272-75-6
• 化学式: C₁₀H₁₈O₂
• 分子量: 170.252
• InChiKey: KUDNIWVODGJKPU-NRPADANISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  rac-1,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol 生成 (1S,2S,5S)-1,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol
  参考文献：
  名称：

  Resolution of racemic 2,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol and 1,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol by microbial esterification

  摘要：

  Resolution of racemic 2,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol and racemic 1,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol via esterification with malonic acid by Glomerella cingulata, is described. Both of alcohols and malonic esters could be obtained in enantiomerically pure states. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00228-0

文献信息

• Resolution of racemic 2,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol and 1,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol by microbial esterification
  作者：Mitsuo Miyazawa、Keisuke Tsuruno、Hiromu Kameoka

  DOI：10.1016/s0957-4166(97)00228-0

  日期：1997.7

  Resolution of racemic 2,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol and racemic 1,6,6-trimethyl-7-oxa-bicyclo[3.1.1]octan-2-ol via esterification with malonic acid by Glomerella cingulata, is described. Both of alcohols and malonic esters could be obtained in enantiomerically pure states. (C) 1997 Elsevier Science Ltd.