2-(5-Chloro-2-hydroxyphenyl)-4-phenyl-3H-1,5-benzodiazepine | 58483-39-9

• 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: 2-(5-Chloro-2-hydroxyphenyl)-4-phenyl-3H-1,5-benzodiazepine
• 英文别名: 4-chloro-2-(4-phenyl-3H-benzo[b][1,4]diazepin-2-yl)-phenol；4-chloro-2-(4-phenyl-3H-1,5-benzodiazepin-2-yl)phenol；4-chloro-2-(2-phenyl-3H-1,5-benzodiazepin-4-yl)phenol
• CAS: 58483-39-9
• 化学式: C₂₁H₁₅ClN₂O
• mdl: MFCD08279519
• 分子量: 346.816
• InChiKey: JEHSAXLWUCXTMM-UHFFFAOYSA-N

物化性质

• 熔点：
  168 °C(Solv: ethanol (64-17-5))
• 沸点：
  506.8±50.0 °C(Predicted)
• 密度：
  1.27±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  45
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-(5-氯代-2-羟基苯基)-3-苯基-1,3-丙二酮 、 邻苯二胺 以 乙醇 为溶剂， 反应 3.0h， 以78%的产率得到2-(5-Chloro-2-hydroxyphenyl)-4-phenyl-3H-1,5-benzodiazepine
  参考文献：
  名称：

  Synthesis of Fluorescent 5-(2-Hydroxyaryl)-7-substituted-2,3-dihydro-1H-1, 4-diazepines and Related Fluorescent 1,5-Benzodiazepines

  摘要：

  DOI：

  10.1055/s-1985-31206

文献信息

• Preyssler catalyst-promoted rapid, clean, and efficient condensation reactions for 3H-1,5-benzodiazepine synthesis in solvent-free conditions
  作者：Gustavo A. Pasquale、Diego M. Ruiz、Jorge L. Jios、Juan C. Autino、Gustavo P. Romanelli

  DOI：10.1016/j.tetlet.2013.09.101

  日期：2013.11

  A simple, convenient, and environmentally benign synthesis of 1,5-benzodiazepines is developed by condensing different o-phenylenediamines and 1,3-aryl-1,3-propanodiones. The reaction is catalyzed by a Preyssler (NaH14P5W30O110, HPA) heteropolyacid as a safe, clean, and recyclable catalyst. The method is operationally simple and provides access to a variety of 1,5-benzodiazepines in good to excellent yields. (C) 2013 Elsevier Ltd. All rights reserved.
• SOUTHWICK, PH. L.;CHOU, CHIH, HSIN;FINK, T. E.;KIRCHNER, J. R., SYNTHESIS, BRD, 1985, N 3, 339-341
  作者：SOUTHWICK, PH. L.、CHOU, CHIH, HSIN、FINK, T. E.、KIRCHNER, J. R.

  DOI：——

  日期：——
• [EN] ROS1 KINASE INHIBITORS FOR THE TREATMENT OF GLIOBLASTOMA AND OTHER P53-DEFICIENT CANCERS<br/>[FR] INHIBITEURS DE LA ROS1 KINASE POUR LE TRAITEMENT DE GLIOBLASTOME ET D'AUTRES CANCERS DÉFICIENTS EN P53
  申请人：HARVARD COLLEGE

  公开号：WO2012016133A2

  公开（公告）日：2012-02-02

  The invention provides methods and compositions for treating tumors, including glioblastomas, using inhibitors of ROS1. Cancer cells are preferentially inhibited compared to normal cells by inhibiting tumor ROS1 kinases that are required for growth of tumor cells but not normal cells.
• Synthesis of Fluorescent 5-(2-Hydroxyaryl)-7-substituted-2,3-dihydro-1<i>H</i>-1, 4-diazepines and Related Fluorescent 1,5-Benzodiazepines
  作者：Philip L. Southwick、Chih Hsin Chou、Thomas E. Fink、Jack R. Kirchner

  DOI：10.1055/s-1985-31206

  日期：——