7-chloro-1,3-dihydro-5-(m-methoxyphenyl)-2H-1,4-benzodiazepine-2-thione | 71622-78-1

• 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-1,3-dihydro-5-(m-methoxyphenyl)-2H-1,4-benzodiazepine-2-thione
• 英文别名: 7-chloro-5-(3-methoxy-phenyl)-1,3-dihydro-benzo[e][1,4]diazepine-2-thione；7-chloro-5-(3-methoxyphenyl)-1,3-dihydro-2H-1,4-benzodiazepine-2-thione；7-chloro-5-(3-methoxyphenyl)-1,3-dihydro-1,4-benzodiazepine-2-thione
• CAS: 71622-78-1
• 化学式: C₁₆H₁₃ClN₂OS
• 分子量: 316.811
• InChiKey: UVHCNIVVAKYVDP-UHFFFAOYSA-N

物化性质

• 熔点：
  225-236 °C (decomp)
• 沸点：
  448.6±55.0 °C(Predicted)
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  65.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  7-chloro-1,3-dihydro-5-(m-methoxyphenyl)-2H-1,4-benzodiazepine-2-thione 在 乙酰氯 作用下， 以 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 反应 16.0h， 生成 {2-[8-Chloro-6-(3-methoxy-phenyl)-4H-2,3,5,10b-tetraaza-benzo[e]azulen-1-yl]-2-phenyl-ethyl}-dimethyl-amine
  参考文献：
  名称：

  1-(2-Aminoethyl)-6-aryl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepines with diuretic and natriuretic activity

  摘要：

  A series of 1-(2-amino-1-phenylethyl)-6-phenyl-4H- [1,2,4]triazolo[4,3-a][1,4]benzodiazepines was prepared and evaluated for diuretic activity. These compounds have diuretic and natriuretic activity but no kaliuretic activity when evaluated by oral administration to the conscious rat. The structure requirements for this activity are discussed. In particular it was found that the 2-aminoethyl side chain at C-1 with hydrogen or methyl substituents on the amino group was required for diuretic activity. A substituent at C-8 was also required; soft substituents such as methylthio and iodo at this position favored activity. Compounds with both phenyl and 2-pyridyl substituents at C-6 were active; substituents on the C-6 phenyl, however, reduced or eliminated the activity. Substituents other than phenyl at the 1-position of the 2-aminoethyl side chain were detrimental to activity; phenyl substitution at this position was required for activity when the substituent at C-8 was chloro but not when it was bromo.

  DOI：

  10.1021/jm00126a003
• 作为产物：
  描述：

  7-Chlor-5-(3-methoxy-phenyl)-2-oxo-1,2-dihydro-1,4-benzodiazepin 、 diphosphorus pentasulfide 以80%的产率得到
  参考文献：
  名称：

  MOFFETT R. B.; KAMDAR B. V., J. HETEROCYCL. CHEM., 1979, 16, NO 4, 793-797

  摘要：

  DOI：

文献信息

• 1-(2-Aminoethyl)-6-aryl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepines with diuretic and natriuretic activity
  作者：Jackson B. Hester、James H. Ludens、D. Edward Emmert、Bruce E. West

  DOI：10.1021/jm00126a003

  日期：1989.6

  A series of 1-(2-amino-1-phenylethyl)-6-phenyl-4H- [1,2,4]triazolo[4,3-a][1,4]benzodiazepines was prepared and evaluated for diuretic activity. These compounds have diuretic and natriuretic activity but no kaliuretic activity when evaluated by oral administration to the conscious rat. The structure requirements for this activity are discussed. In particular it was found that the 2-aminoethyl side chain at C-1 with hydrogen or methyl substituents on the amino group was required for diuretic activity. A substituent at C-8 was also required; soft substituents such as methylthio and iodo at this position favored activity. Compounds with both phenyl and 2-pyridyl substituents at C-6 were active; substituents on the C-6 phenyl, however, reduced or eliminated the activity. Substituents other than phenyl at the 1-position of the 2-aminoethyl side chain were detrimental to activity; phenyl substitution at this position was required for activity when the substituent at C-8 was chloro but not when it was bromo.
• MOFFETT R. B.; KAMDAR B. V., J. HETEROCYCL. CHEM., 1979, 16, NO 4, 793-797
  作者：MOFFETT R. B.、 KAMDAR B. V.

  DOI：——

  日期：——