10-amino-5-(2-chlorophenyl)-8-phenyl-1,2,3,4-tetrahydro-7H-pyrido[2',3':3,4]cyclopenta[1,2-c]isoquinoline-7,7,9-tricarbonitrile | 1425054-59-6

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 10-amino-5-(2-chlorophenyl)-8-phenyl-1,2,3,4-tetrahydro-7H-pyrido[2',3':3,4]cyclopenta[1,2-c]isoquinoline-7,7,9-tricarbonitrile
• 英文别名: 10-amino-8-phenyl-5-(2-chlorophenyl)-1,2,3,4-tetrahydro-7H-pyrido[2',3':3,4]cyclopenta[1,2-c]isoquinoline-7,7,9-tricarbonitrile；10-Amino-8-phenyl-5-(2-chlorophenyl)-1,2,3,4-tetrahydro-7h-pyrido[2',3':3,4]cyclopenta[1,2-c]isoquinoline-7,7,9-tricarbonitrile；15-amino-8-(2-chlorophenyl)-13-phenyl-9,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene-11,11,14-tricarbonitrile
• CAS: 1425054-59-6
• 化学式: C₃₀H₁₉ClN₆
• 分子量: 498.974
• InChiKey: REUZWBMSTSMIER-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  37
• 可旋转键数：
  2
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  123
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-(2-chlorobenzoyl)-1-(morpholin-4-yl)-1-cyclohexene 在 sodium ethanolate 、 potassium hydroxide 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 50.5h， 生成 10-amino-5-(2-chlorophenyl)-8-phenyl-1,2,3,4-tetrahydro-7H-pyrido[2',3':3,4]cyclopenta[1,2-c]isoquinoline-7,7,9-tricarbonitrile
  参考文献：
  名称：

  Synthesis and alkylation of 1-alkyl(aryl)-4-cyano-3-dicyanomethylene-substituted carbo[c]fused pyridines. Molecular and crystal structure of 2-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-2-(2-oxo-2-phenylethyl)malononitrile and 10-amino-8-phenyl-5-(2-chlorophenyl)-1,2,3,4-tetrahydro-7H-pyrido[2′,3′:3,4]cyclopenta[1,2-c]isoquinoline-7,7,9-tricarbonitrile

  摘要：

  Condensation of 2-acyl-1-(N-morpholinyl)cycloalkene with malononitrile dimer results in 1-alkyl-(aryl)-4-cyano-3-dicyanomethylene-substituted carbo[c]fused pyridines. Reaction of the latter with alkyl halides affords the corresponding 2-alkyl-2-(3-isoquinolinyl)malononitrile, 1-amino-2-(4-bromobenzoyl)-5-(2-chlorophenyl)-6,7,8,9-tetrahydro-3H-cyclopenta[c]isoquinoline-3,3-dicarbonitrile and 10-amino-8-phenyl-5-(2-chlorophenyl)-1,2,3,4-tetrahydro-7H-pyrido[2',3':3,4]cyclopenta[1,2-c]isoquinoline-7,7,9-tricarbonitrile. Structure of the latter and of 2-(1-methyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)-2-(2-oxo-2-phenylethyl)-malononitrile was investigated by XRD.

  DOI：

  10.1134/s1070363213070141

文献信息

• Synthesis of pyrido[2',3':3,4]cyclopenta-[1,2-c]isoquinoline, a new heterocyclic system
  作者：I. V. Dyachenko、M. V. Vovk

  DOI：10.1007/s10593-013-1178-4

  日期：2013.1
• Synthesis and alkylation of 1-alkyl(aryl)-4-cyano-3-dicyanomethylene-substituted carbo[c]fused pyridines. Molecular and crystal structure of 2-(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)-2-(2-oxo-2-phenylethyl)malononitrile and 10-amino-8-phenyl-5-(2-chlorophenyl)-1,2,3,4-tetrahydro-7H-pyrido[2′,3′:3,4]cyclopenta[1,2-c]isoquinoline-7,7,9-tricarbonitrile
  作者：I. V. Dyachenko、E. B. Rusanov、A. V. Gutov、M. V. Vovk

  DOI：10.1134/s1070363213070141

  日期：2013.7

  Condensation of 2-acyl-1-(N-morpholinyl)cycloalkene with malononitrile dimer results in 1-alkyl-(aryl)-4-cyano-3-dicyanomethylene-substituted carbo[c]fused pyridines. Reaction of the latter with alkyl halides affords the corresponding 2-alkyl-2-(3-isoquinolinyl)malononitrile, 1-amino-2-(4-bromobenzoyl)-5-(2-chlorophenyl)-6,7,8,9-tetrahydro-3H-cyclopenta[c]isoquinoline-3,3-dicarbonitrile and 10-amino-8-phenyl-5-(2-chlorophenyl)-1,2,3,4-tetrahydro-7H-pyrido[2',3':3,4]cyclopenta[1,2-c]isoquinoline-7,7,9-tricarbonitrile. Structure of the latter and of 2-(1-methyl-4-cyano-5,6,7,8-tetrahydroisoquinolin-3-yl)-2-(2-oxo-2-phenylethyl)-malononitrile was investigated by XRD.