1,2-bis(2,2,3,3-tetramethylcyclopropyl-1-carbonylamino)benzene | 330645-03-9

• 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: 1,2-bis(2,2,3,3-tetramethylcyclopropyl-1-carbonylamino)benzene
• 英文别名: Benzene, 1,2-di(2,2,3,3-tetramethylcyclopropanoylamino)-；2,2,3,3-tetramethyl-N-[2-[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]phenyl]cyclopropane-1-carboxamide
• CAS: 330645-03-9
• 化学式: C₂₂H₃₂N₂O₂
• 分子量: 356.508
• InChiKey: AIHUTNXEGAHVSY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.64
• 拓扑面积：
  58.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2,2,3,3-四甲基环丙烷羧酸酰氯 、 邻苯二胺 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 2.0h， 生成 N-(2-aminophenyl)-2,2,3,3-tetramethylcyclopropanecarboxamide 、 1,2-bis(2,2,3,3-tetramethylcyclopropyl-1-carbonylamino)benzene
  参考文献：
  名称：

  Synthesis of 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazoles via the cyclopropyliminium rearrangement of substituted 2-cyclopropylbenzimidazoles

  摘要：

  2-Cyclopropylbenzimidazole derivatives with various substituents in the small ring undergo cyclopropyliminium rearrangement into 2,3-dihydropyrrolobenzimidazoles substituted at positions 1, 2 or 3. The substrates containing a functional group in position 1 of the cyclopropane ring form products substituted at position 3. Substituents at position 2 in most cases lead to the formation of a mixture of isomers. The reaction can be directed to yield one of the isomers predominantly by varying the solvent polarity. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2013.02.021

文献信息

• Synthesis of 2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazoles via the cyclopropyliminium rearrangement of substituted 2-cyclopropylbenzimidazoles
  作者：Rinat F. Salikov、Dmitry N. Platonov、Aleksandr E. Frumkin、Dmitry L. Lipilin、Yury V. Tomilov

  DOI：10.1016/j.tet.2013.02.021

  日期：2013.4

  2-Cyclopropylbenzimidazole derivatives with various substituents in the small ring undergo cyclopropyliminium rearrangement into 2,3-dihydropyrrolobenzimidazoles substituted at positions 1, 2 or 3. The substrates containing a functional group in position 1 of the cyclopropane ring form products substituted at position 3. Substituents at position 2 in most cases lead to the formation of a mixture of isomers. The reaction can be directed to yield one of the isomers predominantly by varying the solvent polarity. (C) 2013 Elsevier Ltd. All rights reserved.