N-(1-Benzyl-2,3-dihydro-1H-1,5-benzodiazepin-4-YL)-N-propylamine

• 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: N-(1-Benzyl-2,3-dihydro-1H-1,5-benzodiazepin-4-YL)-N-propylamine
• 英文别名: 5-benzyl-N-propyl-3,4-dihydro-1H-1,5-benzodiazepin-2-imine
• 化学式: C₁₉H₂₃N₃
• mdl: MFCD01872958
• 分子量: 293.412
• InChiKey: VCZIPRMAGDQYEM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  27.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3,4,5-四氢-苯并[B][1,4]二氮杂革-2-酮 在 tetraphosphorus decasulfide 、 碳酸氢钠 、 mercury dichloride 作用下， 以 四氢呋喃 、 吡啶 为溶剂， 反应 4.0h， 生成 N-(1-Benzyl-2,3-dihydro-1H-1,5-benzodiazepin-4-YL)-N-propylamine
  参考文献：
  名称：

  2,3-Dihydro-1H-1,5-benzodiazepines: A conversion of thiolactams to amidines

  摘要：

  The synthesis of a new series of diversely N-4 substituted amidines of 2,3-dihydro-1H-1,5-benzodiazepine has been accomplished starting from tetrahydro-1,5-benzodiazepin-2-one derivatives. These compounds were transformed into the desired thiolactams 2a-i which reacted in the presence of mercuric chloride with ammonia, as well as primary or secondary amines to give amidines 3a-i. Hydrazidines 3j-1 were prepared by treatment of thiolactams with an excess of hydrazine.

  DOI：

  10.1007/bf00807260

文献信息

• Janciene, Regina; Kosychova, Lidija; Bukelskiene, Virginija, Arzneimittel-Forschung/Drug Research, 2002, vol. 52, # 6, p. 475 - 481
  作者：Janciene, Regina、Kosychova, Lidija、Bukelskiene, Virginija、Domkus, Vigintas、Stumbreviciute, Zita、Ragaleviciene, Vida、Puodziunaite, Benedikta D.

  DOI：——

  日期：——
• 2,3-Dihydro-1H-1,5-benzodiazepines: A conversion of thiolactams to amidines
  作者：B. Puodžiūnaitė、L. Kosychova、R. Jančienė、Z. Stumbrevičiūtė

  DOI：10.1007/bf00807260

  日期：1997.12

  The synthesis of a new series of diversely N-4 substituted amidines of 2,3-dihydro-1H-1,5-benzodiazepine has been accomplished starting from tetrahydro-1,5-benzodiazepin-2-one derivatives. These compounds were transformed into the desired thiolactams 2a-i which reacted in the presence of mercuric chloride with ammonia, as well as primary or secondary amines to give amidines 3a-i. Hydrazidines 3j-1 were prepared by treatment of thiolactams with an excess of hydrazine.