8-chloro-1,4-dimethyl-6-phenyl-4H-s-triazolo<4,3-a><1,4>benzodiazepine-4-carboxylic acid ethyl ester | 38150-36-6

• 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: 8-chloro-1,4-dimethyl-6-phenyl-4H-s-triazolo<4,3-a><1,4>benzodiazepine-4-carboxylic acid ethyl ester
• 英文别名: 8-chloro-1,4-dimethyl-6-phenyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine-4-carboxylic acid ethyl ester；8-Chlor-1,4-dimethyl-6-phenyl-4H-s-triazolo-<4.3a><1.4>-benzodiazepin-4-carbonsaeure-ethylester；Ethyl 8-chloro-1,4-dimethyl-6-phenyl-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine-4-carboxylate
• CAS: 38150-36-6
• 化学式: C₂₁H₁₉ClN₄O₂
• 分子量: 394.86
• InChiKey: DCZMCTNRQRAJSS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  69.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  8-chloro-1,4-dimethyl-6-phenyl-4H-s-triazolo<4,3-a><1,4>benzodiazepine-4-carboxylic acid ethyl ester 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 5.0h， 以63.3%的产率得到8-chloro-1,4-dimethyl-6-phenyl-4H-s-triazolo<4,3-a><1,4>benzodiazepine
  参考文献：
  名称：

  8-Chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines with substituents at C-4

  摘要：

  A series of 8-chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines with substituents at C-4 was prepared and evaluated for antianxiety potential. It was found that substitution at this position generally decreased the activity in this series.

  DOI：

  10.1021/jm00180a012
• 作为产物：
  描述：

  阿普唑仑 在 sodium hydride 作用下， 以 乙醇 为溶剂， 反应 22.58h， 生成 8-chloro-1,4-dimethyl-6-phenyl-4H-s-triazolo<4,3-a><1,4>benzodiazepine-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  8-Chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines with substituents at C-4

  摘要：

  A series of 8-chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines with substituents at C-4 was prepared and evaluated for antianxiety potential. It was found that substitution at this position generally decreased the activity in this series.

  DOI：

  10.1021/jm00180a012

文献信息

• HESTER J. B. JR.; RUDZIK A. D.; VOIGTLANDER P. F. VON, J. MED. CHEM., 1980, 23, NO 6, 643-647
  作者：HESTER J. B. JR.、 RUDZIK A. D.、 VOIGTLANDER P. F. VON

  DOI：——

  日期：——
• 8-Chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines with substituents at C-4
  作者：Jackson B. Hester、Allan D. Rudzik、Philip F. VonVoigtlander

  DOI：10.1021/jm00180a012

  日期：1980.6

  A series of 8-chloro-1-methyl-6-phenyl-4H-s-triazolo[4,3-a][1,4]benzodiazepines with substituents at C-4 was prepared and evaluated for antianxiety potential. It was found that substitution at this position generally decreased the activity in this series.