diethyl (6,7-tetramethylene-1,2,3,4,4a,5-hexahydro-10H-benzimidazo[2,1-j]quinolin-10-ylidene)malonate | 374703-49-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: diethyl (6,7-tetramethylene-1,2,3,4,4a,5-hexahydro-10H-benzimidazo[2,1-j]quinolin-10-ylidene)malonate
• 英文别名: diethyl 6,7,8,9,9a,10,11,12,13,14-decahydro-2H-benzimidazo[2,1-e]acridin-2-ylidenepropanedioate；diethyl 2-(14,21-diazapentacyclo[12.7.0.01,6.08,13.015,20]henicosa-8(13),15,18,20-tetraen-17-ylidene)propanedioate
• CAS: 374703-49-8
• 化学式: C₂₆H₃₂N₂O₄
• 分子量: 436.551
• InChiKey: KWADPUSLUQDVEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  68.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  6,7,8,9,9a,10,11,12,13,14-decahydro-5H-benzimidazo[2,1-e]acridine 、 丙二酸二乙酯 在 manganese(IV) oxide 作用下， 以 丙酮 为溶剂， 反应 1.0h， 以78%的产率得到diethyl (6,7-tetramethylene-1,2,3,4,4a,5-hexahydro-10H-benzimidazo[2,1-j]quinolin-10-ylidene)malonate
  参考文献：
  名称：

  Oxidative coupling of substituted 1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinolines with methylene-active derivatives of carboxylic acids

  摘要：

  The oxidative coupling of substituted 1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinolines with methylene-active derivatives of carboxylic acids led to the formation of p-methylenequinone imines of the mentioned series; in some events the reaction was accompanied with a hydrolytic cleavage of the exocyclic fragment.

  DOI：

  10.1134/s107042800908017x

文献信息

• Oxidative coupling of substituted 1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinolines with methylene-active derivatives of carboxylic acids
  作者：O. Yu. Slabko、N. V. Ageenko、V. A. Kaminskii

  DOI：10.1134/s107042800908017x

  日期：2009.8

  The oxidative coupling of substituted 1,2,3,4,4a,5-hexahydro-13H-benzimidazo[2,1-j]quinolines with methylene-active derivatives of carboxylic acids led to the formation of p-methylenequinone imines of the mentioned series; in some events the reaction was accompanied with a hydrolytic cleavage of the exocyclic fragment.