(1R,7aR)-1-Isopropyl-7a-methyl-2,6,7,7a-tetrahydro-1H-indene | 844697-57-0

• 分子结构分类: 有机化合物 - 碳氢化合物 - 多环烃
• 英文名称: (1R,7aR)-1-Isopropyl-7a-methyl-2,6,7,7a-tetrahydro-1H-indene
• 英文别名: (1R,7aR)-7a-methyl-1-propan-2-yl-1,2,6,7-tetrahydroindene
• CAS: 844697-57-0
• 化学式: C₁₃H₂₀
• 分子量: 176.302
• InChiKey: ILJKIFVIZQVIEV-OLZOCXBDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  (1R,7aR)-1-Isopropyl-7a-methyl-2,6,7,7a-tetrahydro-1H-indene 在 碳酸氢钠 、 间氯过氧苯甲酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 0.5h， 生成 (3R,3aR)-3-Isopropyl-3a-methyl-1a,2,3,3a,4,5-hexahydro-1-oxa-cyclopropa[c]indene
  参考文献：
  名称：

  Remarkable Selectivity in Addition of Alcohols to Epoxydienes of 5,7 Bicyclic and 5,7,6 Tricyclic Systems

  摘要：

  Acid-catalyzed addition of alcohols to tricyclic dienyl epoxides such as 4 or bicyclic vinyl oxiranes such as 17 exclusively occurred at the vinyl terminus of unsaturated system through a typical S(N)2' process affording 1,6- and 1,4-dioxygenated derivatives, respectively.

  DOI：

  10.1021/jo0481295
• 作为产物：
  描述：

  (2R,3R)-2-but-3-enyl-2-methyl-3-propan-2-ylcyclopentan-1-one 在 Grubbs catalyst first generation 、 tris(dibenzylideneacetone)dipalladium (0) 、 Proton Sponge 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 (1R,7aR)-1-Isopropyl-7a-methyl-2,6,7,7a-tetrahydro-1H-indene
  参考文献：
  名称：

  Remarkable Selectivity in Addition of Alcohols to Epoxydienes of 5,7 Bicyclic and 5,7,6 Tricyclic Systems

  摘要：

  Acid-catalyzed addition of alcohols to tricyclic dienyl epoxides such as 4 or bicyclic vinyl oxiranes such as 17 exclusively occurred at the vinyl terminus of unsaturated system through a typical S(N)2' process affording 1,6- and 1,4-dioxygenated derivatives, respectively.

  DOI：

  10.1021/jo0481295

文献信息

• Remarkable Selectivity in Addition of Alcohols to Epoxydienes of 5,7 Bicyclic and 5,7,6 Tricyclic Systems
  作者：François-Didier Boyer、Issam Hanna

  DOI：10.1021/jo0481295

  日期：2005.2.1

  Acid-catalyzed addition of alcohols to tricyclic dienyl epoxides such as 4 or bicyclic vinyl oxiranes such as 17 exclusively occurred at the vinyl terminus of unsaturated system through a typical S(N)2' process affording 1,6- and 1,4-dioxygenated derivatives, respectively.