7'-chloro-1',2',3',4',10',11a'-hexahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine] | 1234803-33-8

• 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: 7'-chloro-1',2',3',4',10',11a'-hexahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]
• CAS: 1234803-33-8
• 化学式: C₁₈H₂₃ClN₂
• 分子量: 302.847
• InChiKey: BIVWBCZWMGAMOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  21.0
• 可旋转键数：
  0.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  24.39
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  2,3,5-tri-O-benzoyl-β-D-ribofuranosyl bromide 、 7'-chloro-1',2',3',4',10',11a'-hexahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine] 反应 4.5h， 以85%的产率得到(2R,3R,4R,5R)-2-((benzoyloxy)methyl)-5-(7'-chloro-1',3',4',11a'-tetrahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepin]-10'(2'H)-yl)tetrahydrofuran-3,4-diyl dibenzoate
  参考文献：
  名称：

  Yadav, Ashok K.; Kumar, Manoj; Yadav, Tripti, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2010, vol. 49, # 4, p. 461 - 468

  摘要：

  DOI：
• 作为产物：
  描述：

  环己酮 、 4-氯-1,2-苯二胺 反应 3.5h， 以90%的产率得到7'-chloro-1',2',3',4',10',11a'-hexahydrospiro[cyclohexane-1,11'-dibenzo[b,e][1,4]diazepine]
  参考文献：
  名称：

  Yadav, Ashok K.; Kumar, Manoj; Yadav, Tripti, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2010, vol. 49, # 4, p. 461 - 468

  摘要：

  DOI：

文献信息

• Polyfluorinated–zinc(II)phthalocyanine complex immobilized on silica: A novel, highly selective and recyclable inorganic–organic hybrid catalyst for the synthesis of biologically important 1,5-benzodiazepines
  作者：R.K. Sharma、Shikha Gulati、Amit Pandey

  DOI：10.1016/j.ica.2012.11.012

  日期：2013.3

  A novel, efficient and recyclable catalyst was prepared by covalent grafting of polyfluorinatedzinc(II)phthalocyanine complex onto functionalized silica gel. The activity of the catalyst was investigated for the solvent-free synthesis of 1,5-benzodiazepines at room temperature. The immobilized catalyst was characterized by elemental analysis (CHN), diffuse reflectance UV-Vis spectroscopy, solid-state C-13 CPMAS and Si-29 CPMAS NMR spectroscopy, X-ray diffraction (XRD), scanning electron microscopy (SEM), BET surface area analysis, energy dispersive X-ray fluorescence (ED-XRF), Fourier transform Infrared (FT-IR) and atomic absorption spectroscopy (AAS) techniques. Short reaction time, mild reaction conditions, high turnover numbers, and easy recovery and reusability of the catalyst make this method a novel, economic and waste-free chemical process for the synthesis of biologically important 1,5-benzodiazepines. (C) 2012 Elsevier B. V. All rights reserved.