2-Benzyl-cycloheptanecarboxylic acid | 155855-03-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-Benzyl-cycloheptanecarboxylic acid
• 英文别名: 2-Benzylcycloheptane-1-carboxylic acid
• CAS: 155855-03-1
• 化学式: C₁₅H₂₀O₂
• 分子量: 232.323
• InChiKey: VQEPOIGDKSXPMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-Benzyl-cycloheptanecarboxylic acid 以63%的产率得到
  参考文献：
  名称：

  Pal Sitaram, Mukhopadhyaya Jayanta K., Ghatak Usha Ranjan, J. Org. Chem, 59 (1994) N 10, S 2687-2694

  摘要：

  DOI：
• 作为产物：
  描述：

  2-benzylcycloheptan-1-one 在 sodium hydroxide 、 jones reagent 、 双氧水 、 sodium tert-pentoxide 、 diborane(6) 作用下， 以 丙酮 、 甲苯 为溶剂， 反应 10.25h， 生成 2-Benzyl-cycloheptanecarboxylic acid
  参考文献：
  名称：

  Regioselective Aryl Radical Cyclization. 1. Stereocontrolled Synthesis of Linearly Condensed Hydroaromatic Carbocyclic Systems through 6-endo-Ring Closures

  摘要：

  The stereocontrolled synthesis of trans-octahydroanthracenes 3, 11a-c, and 14a-c and trans-octahydro-5aH-cyclohepta[b] naphthalene (27) through implementation of an efficient and highly regioselective 6-endo-trig-aryl radical cyclization of the respective 2-(o-bromoaryl)-1-methylenecyclohexanes 2, 10a-c, and 13a-c and 2-(o-bromobenzyl)-1-methylenecycloheptane (41) with tri-n- butyltin-hydride-is described. The radical cyclization of 2-(o-bromobenzyl)-1-methylenecyclopentane (43), in contrast, produced a mixture of the cis- and trans-hexahydro-1H-benz[f]indenes (38) and (37).

  DOI：

  10.1021/jo00089a009

文献信息

• Pal Sitaram, Mukhopadhyaya Jayanta K., Ghatak Usha Ranjan, J. Org. Chem, 59 (1994) N 10, S 2687-2694
  作者：Pal Sitaram, Mukhopadhyaya Jayanta K., Ghatak Usha Ranjan

  DOI：——

  日期：——
• Regioselective Aryl Radical Cyclization. 1. Stereocontrolled Synthesis of Linearly Condensed Hydroaromatic Carbocyclic Systems through 6-endo-Ring Closures
  作者：Sitaram Pal、Jayanta K. Mukhopadhyaya、Usha Ranjan Ghatak

  DOI：10.1021/jo00089a009

  日期：1994.5

  The stereocontrolled synthesis of trans-octahydroanthracenes 3, 11a-c, and 14a-c and trans-octahydro-5aH-cyclohepta[b] naphthalene (27) through implementation of an efficient and highly regioselective 6-endo-trig-aryl radical cyclization of the respective 2-(o-bromoaryl)-1-methylenecyclohexanes 2, 10a-c, and 13a-c and 2-(o-bromobenzyl)-1-methylenecycloheptane (41) with tri-n- butyltin-hydride-is described. The radical cyclization of 2-(o-bromobenzyl)-1-methylenecyclopentane (43), in contrast, produced a mixture of the cis- and trans-hexahydro-1H-benz[f]indenes (38) and (37).