4-chloro-5,6-dihydro-1'-ethylspiro{benzimidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-5,3'-indolin}-2'-one | 1182005-08-8

• 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: 4-chloro-5,6-dihydro-1'-ethylspiro{benzimidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-5,3'-indolin}-2'-one
• CAS: 1182005-08-8
• 化学式: C₂₂H₁₆ClN₅O
• 分子量: 401.855
• InChiKey: RGYWVIQWLBLKQQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.68
• 重原子数：
  29.0
• 可旋转键数：
  1.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.91
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  4-chloro-5,6-dihydro-1'-ethylspiro{benzimidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-5,3'-indolin}-2'-one 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以60%的产率得到5,6-dihydro-1'-ethyl-4-hydrazinospiro{benzimidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-5,3'-indolin}-2'-one
  参考文献：
  名称：

  Novel syntheses of some new 3,4-dihydrospiro{benzimidazo[1,2-a]pyridine-3,3′-indolin}-2′-one derivatives

  摘要：

  2-Methylbenzimidazole 1 reacted with 3-dicyanomethylidine-1-ethyl-2-oxoindoline 2 in ethyl acetate to afford 1-amino-2-cyano-3,4-dihydro-1'-ethylspiro{benzimidazo[1,2-a]pyridine-3,3'-indolin}-2'-one 6, which was used as a key intermediate in the synthesis of fused spiropolyheterocyclic derivatives of benzimidazopyridopyrimidine and/or benzimidazonaphthyridine nucleus incorporating an indoline moiety.

  DOI：

  10.1007/s00706-008-0013-6
• 作为产物：
  描述：

  3,5,6-trihydro-1'-ethylspiro{benzimidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-5,3'-indoline}-2',4-dione 在 三氯氧磷 作用下， 反应 4.0h， 以58%的产率得到4-chloro-5,6-dihydro-1'-ethylspiro{benzimidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-5,3'-indolin}-2'-one
  参考文献：
  名称：

  Novel syntheses of some new 3,4-dihydrospiro{benzimidazo[1,2-a]pyridine-3,3′-indolin}-2′-one derivatives

  摘要：

  2-Methylbenzimidazole 1 reacted with 3-dicyanomethylidine-1-ethyl-2-oxoindoline 2 in ethyl acetate to afford 1-amino-2-cyano-3,4-dihydro-1'-ethylspiro{benzimidazo[1,2-a]pyridine-3,3'-indolin}-2'-one 6, which was used as a key intermediate in the synthesis of fused spiropolyheterocyclic derivatives of benzimidazopyridopyrimidine and/or benzimidazonaphthyridine nucleus incorporating an indoline moiety.

  DOI：

  10.1007/s00706-008-0013-6