1,1-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole | 1428555-79-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 1,1-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
• 英文别名: 1,1-Dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole；1,1-dimethyl-2,3-dihydropyrrolo[1,2-a]benzimidazole
• CAS: 1428555-79-6
• 化学式: C₁₂H₁₄N₂
• 分子量: 186.257
• InChiKey: DKOUFKHPQBTTFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2,2-二甲基环丙烯羧酸 在 吡啶 、 氯化亚砜 、 三乙胺 作用下， 以 乙醚 、 溶剂黄146 、 乙腈 为溶剂， 反应 7.0h， 生成 1,1-dimethyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazole
  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

• [EN] CDK4/6 INHIBITORS AND USE THEREOF<br/>[FR] INHIBITEURS DE CDK4/6 ET LEUR UTILISATION
  申请人：BEIJING XUANYI PHARMASCIENCES CO LTD

  公开号：WO2019035008A1

  公开（公告）日：2019-02-21

  The present disclosure relates to a compound of formula (I), or a pharmaceutically acceptable salt, a solvate, a stereoisomer, or tautomer thereof, a pharmaceutical composition comprising a compound of formula (A) or formula (B), and any subgenera thereof, and use of said compounds and compositions thereof, wherein R1, R2, R3a, R3b, R5, R6, X1, X2, Y and n are described herein.

  本公开涉及式(I)的化合物，或其药用可接受的盐、溶剂合物、立体异构体或互变异构体，包括化合物(A)或化合物(B)的药物组合物，以及所述化合物和组合物的使用，其中R1、R2、R3a、R3b、R5、R6、X1、X2、Y和n如本文所述。
• 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.