(4R,5S)-4-Allyl-5-isopropenyl-2,4-dimethyl-3-pent-4-enyl-cyclohex-2-enone | 691871-13-3

• 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: (4R,5S)-4-Allyl-5-isopropenyl-2,4-dimethyl-3-pent-4-enyl-cyclohex-2-enone
• 英文别名: (4R,5S)-2,4-dimethyl-3-pent-4-enyl-5-prop-1-en-2-yl-4-prop-2-enylcyclohex-2-en-1-one
• CAS: 691871-13-3
• 化学式: C₁₉H₂₈O
• 分子量: 272.431
• InChiKey: WWLFHXJXEJQGFC-HKUYNNGSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 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：

  (4R,5S)-4-Allyl-5-isopropenyl-2,4-dimethyl-3-pent-4-enyl-cyclohex-2-enone 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 以56%的产率得到(Z)-(4S,4aR)-4-Isopropenyl-1,4a-dimethyl-4,4a,5,8,9,10-hexahydro-3H-benzocycloocten-2-one
  参考文献：
  名称：

  Enantiospecific construction of the BC-ring system of taxanes

  摘要：

  Two alternative approaches to the BC-ring system of taxanes, suitable for generating both enantiomeric forms of taxanes, starting from the readily and abundantly available monoterpene (R)-carvone employing a ring-closing metathesis reaction as key step, are described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.02.075
• 作为产物：
  描述：

  cis-6-allyl-6-methylcarvone 在 lithium 、 pyridinium chlorochromate 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (4R,5S)-4-Allyl-5-isopropenyl-2,4-dimethyl-3-pent-4-enyl-cyclohex-2-enone
  参考文献：
  名称：

  Enantiospecific construction of the BC-ring system of taxanes

  摘要：

  Two alternative approaches to the BC-ring system of taxanes, suitable for generating both enantiomeric forms of taxanes, starting from the readily and abundantly available monoterpene (R)-carvone employing a ring-closing metathesis reaction as key step, are described. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2004.02.075

文献信息

• Enantiospecific construction of the BC-ring system of taxanes
  作者：A. Srikrishna、Dattatraya H. Dethe、P. Ravi Kumar

  DOI：10.1016/j.tetlet.2004.02.075

  日期：2004.3

  Two alternative approaches to the BC-ring system of taxanes, suitable for generating both enantiomeric forms of taxanes, starting from the readily and abundantly available monoterpene (R)-carvone employing a ring-closing metathesis reaction as key step, are described. (C) 2004 Elsevier Ltd. All rights reserved.