(3R,5S)-3-But-3-enyl-5-isopropenyl-2,2-dimethyl-cyclohexanone | 853562-46-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: (3R,5S)-3-But-3-enyl-5-isopropenyl-2,2-dimethyl-cyclohexanone
• 英文别名: (3R,5S)-3-but-3-enyl-2,2-dimethyl-5-prop-1-en-2-ylcyclohexan-1-one
• CAS: 853562-46-6
• 化学式: C₁₅H₂₄O
• 分子量: 220.355
• InChiKey: APJZYLKGHAUUBK-QWHCGFSZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  16
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (3R,5S)-3-But-3-enyl-5-isopropenyl-2,2-dimethyl-cyclohexanone 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 锌 作用下， 以 四氢呋喃 、 苯 为溶剂， 反应 1.33h， 生成
  参考文献：
  名称：

  An efficient construction of a C3-symmetric macrocycle by head to tail cyclotrimerization of an unsymmetrical diene via a sequence of highly regio- and stereoselective metathesis reactions

  摘要：

  A sequence of highly regio- and stereoselective intermolecular metatheses followed by ring-closing metathesis of an 1-allyl-3-(3-butenyl)cyclohexanol led to a C-3-symmetric head to tail cyclic trimer; a 24-membered macrocycle containing three inward directed hydroxyl groups creating a hydrophilic cavity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.03.088
• 作为产物：
  描述：

  (R)-Carvone 在 氨 、 lithium 作用下， 以 四氢呋喃 为溶剂， 反应 4.67h， 生成 (3R,5S)-3-But-3-enyl-5-isopropenyl-2,2-dimethyl-cyclohexanone
  参考文献：
  名称：

  An efficient construction of a C3-symmetric macrocycle by head to tail cyclotrimerization of an unsymmetrical diene via a sequence of highly regio- and stereoselective metathesis reactions

  摘要：

  A sequence of highly regio- and stereoselective intermolecular metatheses followed by ring-closing metathesis of an 1-allyl-3-(3-butenyl)cyclohexanol led to a C-3-symmetric head to tail cyclic trimer; a 24-membered macrocycle containing three inward directed hydroxyl groups creating a hydrophilic cavity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.03.088