4a'-(cyclohexylcarbamoyl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-carboxylic acid | 1039656-72-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯二氮卓类
• 英文名称: 4a'-(cyclohexylcarbamoyl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-carboxylic acid
• 英文别名: 10a-(cyclohexylcarbamoyl)spiro[6a,7,8,9,10,11-hexahydro-5H-benzo[b][1,4]benzodiazepine-6,1'-cyclohexane]-2-carboxylic acid
• CAS: 1039656-72-8
• 化学式: C₂₆H₃₇N₃O₃
• 分子量: 439.598
• InChiKey: AOEBQVNLGIUCBZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  32
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  90.5
• 氢给体数：
  4
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  异氰环已烷 、 环己酮 、 3,4-二氨基苯甲酸 在 Fe3O4/SiO2 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以90%的产率得到4a'-(cyclohexylcarbamoyl)-1',2',3',4',4a',5',10',11a'-octahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]-7'-carboxylic acid
  参考文献：
  名称：

  Fe 3 O 4 / SiO 2纳米颗粒：一种高效，可磁回收的纳米催化剂，用于一锅多组分合成二氮杂s

  摘要：

  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。

  DOI：

  10.1016/j.tet.2012.07.034

文献信息

• 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.
• 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。