7-methyl-5,7-diphenyl-6,7-dihydro-1H-[1,4]diazepine-2,3-dicarbonitrile | 51802-59-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮卓类
• 英文名称: 7-methyl-5,7-diphenyl-6,7-dihydro-1H-[1,4]diazepine-2,3-dicarbonitrile
• 英文别名: 7-Methyl-5,7-diphenyl-1,6-dihydro-1,4-diazepine-2,3-dicarbonitrile；7-methyl-5,7-diphenyl-1,6-dihydro-1,4-diazepine-2,3-dicarbonitrile
• CAS: 51802-59-6
• 化学式: C₂₀H₁₆N₄
• 分子量: 312.374
• InChiKey: HXNGIRNQSRBFLJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  72
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  异氰环已烷 、 7-methyl-5,7-diphenyl-6,7-dihydro-1H-[1,4]diazepine-2,3-dicarbonitrile 以 乙醇 为溶剂， 反应 6.0h， 以90%的产率得到2,3-dicyano-N-cyclohexyl-7-methyl-5,7-diphenyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide
  参考文献：
  名称：

  One-pot multicomponent synthesis of diazepine derivatives using terminal alkynes in the presence of silica-supported superparamagnetic iron oxide nanoparticles

  摘要：

  A new, efficient, one-pot multicomponent reaction for the synthesis of diazepine derivatives in excellent yields is described. The reactions of various 1,2-diamines, terminal alkynes, and an isocyanide take place in the presence of a catalytic amount of magnetically recoverable silica-supported superparamagnetic Fe3O4 nanoparticles in ethanol (as a green reaction medium) at ambient temperature. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.123
• 作为产物：
  描述：

  苯乙炔 、 二氨基马来腈 在 silica-supported iron oxide 作用下， 以 乙醇 为溶剂， 反应 4.0h， 以94%的产率得到7-methyl-5,7-diphenyl-6,7-dihydro-1H-[1,4]diazepine-2,3-dicarbonitrile
  参考文献：
  名称：

  One-pot multicomponent synthesis of diazepine derivatives using terminal alkynes in the presence of silica-supported superparamagnetic iron oxide nanoparticles

  摘要：

  A new, efficient, one-pot multicomponent reaction for the synthesis of diazepine derivatives in excellent yields is described. The reactions of various 1,2-diamines, terminal alkynes, and an isocyanide take place in the presence of a catalytic amount of magnetically recoverable silica-supported superparamagnetic Fe3O4 nanoparticles in ethanol (as a green reaction medium) at ambient temperature. (c) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.01.123

文献信息

• One-pot multicomponent synthesis of diazepine derivatives using terminal alkynes in the presence of silica-supported superparamagnetic iron oxide nanoparticles
  作者：Ali Maleki

  DOI：10.1016/j.tetlet.2013.01.123

  日期：2013.4

  A new, efficient, one-pot multicomponent reaction for the synthesis of diazepine derivatives in excellent yields is described. The reactions of various 1,2-diamines, terminal alkynes, and an isocyanide take place in the presence of a catalytic amount of magnetically recoverable silica-supported superparamagnetic Fe3O4 nanoparticles in ethanol (as a green reaction medium) at ambient temperature. (c) 2013 Elsevier Ltd. All rights reserved.