1-(adamantan-1-ylmethyl)-2-methylbenzene

• 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: 1-(adamantan-1-ylmethyl)-2-methylbenzene
• 英文别名: 1-(2-Methylbenzyl)adamantane；1-[(2-methylphenyl)methyl]adamantane
• 化学式: C₁₈H₂₄
• 分子量: 240.389
• InChiKey: PNGXDFKTCOJUQD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  邻二甲苯 、 1,3-脱氢金刚烷 反应 1.0h， 以58%的产率得到1-(adamantan-1-ylmethyl)-2-methylbenzene
  参考文献：
  名称：

  Chemical Transformations of Tetracyclo[3.3.1.13,7.01,3]decane (1,3-Dehydroadamantane): IX. Noncatalytic Reactions with Alkylarenes

  摘要：

  The reaction of 1,3-dehydroadamantane with alkylbenzenes was studied for the first time. It involved the C-H bond of the alkyl substituent in the alpha-position with respect to the aromatic ring. The proposed radical mechanism of the reaction was confirmed by the isolation of 1,1 '-biadamantane and 1,2-diphenylethane derivatives. Difficultly accessible (adamantan-1-ylmethyl)arenes were synthesized in 53-78% yields.

  DOI：

  10.1134/s1070428020060123

文献信息

• Chemical Transformations of Tetracyclo[3.3.1.13,7.01,3]decane (1,3-Dehydroadamantane): IX. Noncatalytic Reactions with Alkylarenes
  作者：G. M. Butov、V. M. Mokhov、E. A. Zubovich

  DOI：10.1134/s1070428020060123

  日期：2020.6

  The reaction of 1,3-dehydroadamantane with alkylbenzenes was studied for the first time. It involved the C-H bond of the alkyl substituent in the alpha-position with respect to the aromatic ring. The proposed radical mechanism of the reaction was confirmed by the isolation of 1,1 '-biadamantane and 1,2-diphenylethane derivatives. Difficultly accessible (adamantan-1-ylmethyl)arenes were synthesized in 53-78% yields.