3,5,6-trihydro-1'-ethylspiro{benzimidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-5,3'-indoline}-2',4-dione | 1182005-00-0

• 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: 3,5,6-trihydro-1'-ethylspiro{benzimidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-5,3'-indoline}-2',4-dione
• 英文别名: 1'-ethylspiro[1,3,5,11-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,10,12,14,16-hexaene-8,3'-indole]-2',6-dione
• CAS: 1182005-00-0
• 化学式: C₂₂H₁₇N₅O₂
• 分子量: 383.409
• InChiKey: RUGJBHXGUXSEKN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  29
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  79.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  甲酸 、 1-amino-2-cyano-3,4-dihydro-1'-ethylspiro{benzimidazo[1,2-a]pyridine-3,3'-indolin}-2'-one 反应 4.0h， 以67%的产率得到3,5,6-trihydro-1'-ethylspiro{benzimidazo[1',2':1,6]pyrido[2,3-d]pyrimidine-5,3'-indoline}-2',4-dione
  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