6-ethylbicylo<4.1.0>heptan-2-ol | 924666-40-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-ethylbicylo<4.1.0>heptan-2-ol
• 英文别名: 6-Ethylbicyclo[4.1.0]heptan-2-ol；6-ethylbicyclo[4.1.0]heptan-2-ol
• CAS: 924666-40-0
• 化学式: C₉H₁₆O
• 分子量: 140.225
• InChiKey: HAISTYKPBFVJRD-UHFFFAOYSA-N

物化性质

• 沸点：
  202.2±8.0 °C(Predicted)
• 密度：
  1.042±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  isopropenyl hexanoate 、 6-ethylbicylo<4.1.0>heptan-2-ol 在 lipase from Candida antarctica (Novozym) 作用下， 以 various solvent(s) 为溶剂， 反应 1.3h， 生成 Hexanoic acid (1S,2R,6R)-6-ethyl-bicyclo[4.1.0]hept-2-yl ester
  参考文献：
  名称：

  Chemo-enzymatic preparation of optically active endo-bicyclo[4.1.0]heptan-2-ols

  摘要：

  Resolutions of endo-bicyclo[4.1.0]heptan-2-ols were achieved by acylation in the presence of lipase from Candida antarctica (Novozym(R)). The (1S,2R,6R) enantiomers reacted faster and the enantiomeric ratios were between 60 and 800 for the 6-substituted bicycloalkanols. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00099-3
• 作为产物：
  描述：

  3-乙基环己-2-烯-1-酮 在 sodium tetrahydroborate 、 cerium(III) chloride 、 diethylzinc 作用下， 以 甲醇 、 正己烷 、 1,2-二氯乙烷 为溶剂， 反应 7.0h， 生成 6-ethylbicylo<4.1.0>heptan-2-ol
  参考文献：
  名称：

  Chemo-enzymatic preparation of optically active endo-bicyclo[4.1.0]heptan-2-ols

  摘要：

  Resolutions of endo-bicyclo[4.1.0]heptan-2-ols were achieved by acylation in the presence of lipase from Candida antarctica (Novozym(R)). The (1S,2R,6R) enantiomers reacted faster and the enantiomeric ratios were between 60 and 800 for the 6-substituted bicycloalkanols. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00099-3

文献信息

• Chemo-enzymatic preparation of optically active endo-bicyclo[4.1.0]heptan-2-ols
  作者：Jean-Pierre Barnier、Véronique Morisson、Isabelle Volle、Luis Blanco

  DOI：10.1016/s0957-4166(99)00099-3

  日期：1999.3

  Resolutions of endo-bicyclo[4.1.0]heptan-2-ols were achieved by acylation in the presence of lipase from Candida antarctica (Novozym(R)). The (1S,2R,6R) enantiomers reacted faster and the enantiomeric ratios were between 60 and 800 for the 6-substituted bicycloalkanols. (C) 1999 Published by Elsevier Science Ltd. All rights reserved.