2,3-dicyano-N-cyclohexyl-7-methyl-5,7-diphenyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide | 1023300-50-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2,3-dicyano-N-cyclohexyl-7-methyl-5,7-diphenyl-4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide
• 英文别名: 2,3-dicyano-N-cyclohexyl-7-methyl-5,7-diphenyl-4,6-dihydro-1H-1,4-diazepine-5-carboxamide
• CAS: 1023300-50-6
• 化学式: C₂₇H₂₉N₅O
• 分子量: 439.56
• InChiKey: CGVAJTWQHPPPQP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  101
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯乙炔 在 silica-supported iron oxide 作用下， 以 乙醇 为溶剂， 反应 10.0h， 生成 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

文献信息

• Fe3O4/SiO2 nanoparticles: an efficient and magnetically recoverable nanocatalyst for the one-pot multicomponent synthesis of diazepines
  作者：Ali Maleki

  DOI：10.1016/j.tet.2012.07.034

  日期：2012.9

  In this research, a new protocol for the one-pot multicomponent synthesis of diazepine derivatives using a 1,2-diamine, a linear or cyclic ketone, and an isocyanide in the presence of a catalytic amount of silica-supported iron oxide (Fe3O4/SiO2) nanoparticles at ambient temperature in excellent yields is described.

  在这项研究中，在催化量的二氧化硅负载的氧化铁（Fe 3描述了在室温下具有优异产率的O 4 / SiO 2）纳米颗粒。
• A Novel One-Pot Pseudo-Five-Component Synthesis of 4,5,6,7-Tetrahydro-1<i>H</i>-1,4-diazepine-5-carboxamide Derivatives
  作者：Ahmad Shaabani、Ali Maleki、Hamid Mofakham、Jafar Moghimi-Rad

  DOI：10.1021/jo8002612

  日期：2008.5.1

  A novel one-pot pseudo-five-component synthesis of 4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide derivatives starting from simple and readily available inputs including 2,3-diaminomaleonitrile, a cyclic or acyclic ketone, an isocyanide, and water in the presence of a catalytic amount of p-toluenesulfonic acid in aqueous medium at ambient temperature in high yields is described.
• Wool-SO3H and nano-Fe3O4@wool as two green and natural-based renewable catalysts in one-pot isocyanide-based multicomponent reactions
  作者：Ahmad Shaabani、Zeinab Hezarkhani、Mohammad Tayeb Faroghi

  DOI：10.1007/s00706-016-1717-7

  日期：2016.11

  Natural wool sulfonic acid (wool-SO3H) and wool-supported Fe3O4 nanoparticles (nano-Fe3O4@wool) with highly loaded Fe3O4 nanoparticles were simply synthesized and characterized by flame atomic absorption spectroscopy, X-ray diffraction, thermogravimetric analysis, and scanning electron microscopy. The successful synthesis of 3,4-dihydroquinoxalin-2-amine, 1,6-dihydropyrazine-2,3-dicarbonitrile, (cyanophenylamino)acetamide, tetrahydro-1H-1,5-benzodiazepine-2-carboxamide, and 4,5,6,7-tetrahydro-1H-1,4-diazepine-5-carboxamide derivatives shows that wool-SO3H and Fe3O4@wool nanocomposite have high catalytic activity and can be repetitively used as two biodegradable catalysts.
• 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.