5-benzyl-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one | 202537-04-0

• 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: 5-benzyl-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
• 英文别名: 5-benzyl-3-methyl-3,4-dihydro-1H-1,5-benzodiazepin-2-one
• CAS: 202537-04-0
• 化学式: C₁₇H₁₈N₂O
• 分子量: 266.343
• InChiKey: PLFXFCUHUPCQBV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-benzyl-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one 在 tetraphosphorus decasulfide 作用下， 以 吡啶 为溶剂， 反应 4.0h， 以62%的产率得到5-benzyl-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
  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
• 作为产物：
  描述：

  氯化苄 、 1,3,4,5-四氢-3-甲基-2H-1,5-苯并二氮杂卓-2-酮 在 碳酸氢钠 作用下， 以77%的产率得到5-benzyl-3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
  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; Vektariene, Ausra; Mikulskiene, Gema, ARKIVOC, 2013, vol. 2013, # 4, p. 1 - 19
  作者：Janciene, Regina、Vektariene, Ausra、Mikulskiene, Gema、Javorskis, Tomas、Vektaris, Gytis、Klimavicius, Algirdas

  DOI：——

  日期：——
• [EN] DERIVATIVES OF 2-ALKOXY-3,4,5-TRIHYDROXY-ALKYL AMIDES, PREPARATION AND USE THEREOF, AND COMPOSITIONS CONTAINING THE SAME<br/>[FR] DERIVES DE 2-ALCOXY-3,4,5-TRIHYDROXY-ALKYLAMIDE, LEUR PRÉPARATION, COMPOSITIONS LES CONTENANT ET UTILISATION
  申请人：SANOFI AVENTIS

  公开号：WO2007135295A2

  公开（公告）日：2007-11-29

  [EN] The invention especially relates to derivatives of 2-alkoxy-3,4,5- trihydroxy-alkyl amides, the preparation thereof, compositions containing the same, and the use of said derivatives as medicaments, especially anticancer drugs.
  [FR] La présente invention concerne notamment des dérivés de 2-alcoxy-3,4,5- trihydroxy-alkylamides, leur préparation, des compositions les contenant, et leur utilisation comme médicament, en particulier en tant qu'agents anticancéreux.
• 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.