2-Methyl-1,3,4,11a-tetrahydro-2H,10H-2,4a,10-triaza-dibenzo[a,d]cycloheptene-5,11-dione | 444163-60-4

• 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-Methyl-1,3,4,11a-tetrahydro-2H,10H-2,4a,10-triaza-dibenzo[a,d]cycloheptene-5,11-dione
• 英文别名: 3-methyl-2,4,4a,6-tetrahydro-1H-pyrazino[2,1-c][1,4]benzodiazepine-5,11-dione
• CAS: 444163-60-4
• 化学式: C₁₃H₁₅N₃O₂
• 分子量: 245.281
• InChiKey: CTTVCDCUVJMVEK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-Methyl-1,3,4,11a-tetrahydro-2H,10H-2,4a,10-triaza-dibenzo[a,d]cycloheptene-5,11-dione 在 lithium aluminium tetrahydride 、 O,O'-dibenzoyl-L-tartaric acid 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 (R)-(-)-2-methyl-1,2,3,4,5,10,11,11a-octahydro-2,4a,10-triazadibenzo[a,d]cycloheptene
  参考文献：
  名称：

  Synthesis, resolution, and absolute configuration of novel tricyclic benzodiazepines

  摘要：

  The synthesis, resolution, and stereochemical characterization of novel piperazino-, thiazino-, and oxazinoberizodiazepines are described. The absolute stereochemistry of the heterotricycles was determined by using X-ray crystallography and the enantiomeric purity was determined by using Pirkle-solvent NMR techniques and chiral HPLC. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.02.028
• 作为产物：
  描述：

  4-甲基哌嗪-2-甲酸甲酯 在 铁粉 、 溶剂黄146 、 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 2-Methyl-1,3,4,11a-tetrahydro-2H,10H-2,4a,10-triaza-dibenzo[a,d]cycloheptene-5,11-dione
  参考文献：
  名称：

  Synthesis, resolution, and absolute configuration of novel tricyclic benzodiazepines

  摘要：

  The synthesis, resolution, and stereochemical characterization of novel piperazino-, thiazino-, and oxazinoberizodiazepines are described. The absolute stereochemistry of the heterotricycles was determined by using X-ray crystallography and the enantiomeric purity was determined by using Pirkle-solvent NMR techniques and chiral HPLC. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2004.02.028

文献信息

• Tricyclic heterocyclic compound and use thereof
  申请人：Matsumoto Takahiro

  公开号：US20090318412A1

  公开（公告）日：2009-12-24

  The present invention provides a tricyclic heterocyclic compound having a serotonin 5-HT 2C receptor activation action and the like. A 5-HT 2C receptor activator containing a compound represented by the formula (I): wherein each symbol is as defined in the specification, or a salt thereof or a prodrug thereof.

  本发明提供了一种具有5-羟色胺5-HT2C受体激活作用等的三环杂环化合物。 包含由式(I)表示的化合物的5-HT2C受体激活剂： 其中每个符号如规范中定义，或其盐或前药。
• US7317005B2
  申请人：——

  公开号：US7317005B2

  公开（公告）日：2008-01-08
• Synthesis, resolution, and absolute configuration of novel tricyclic benzodiazepines
  作者：Jay M. Matthews、Alexey B. Dyatkin、Mary Evangelisto、Diane A. Gauthier、Leonard R. Hecker、William J. Hoekstra、Fuqiang Liu、Brenda L. Poulter、Kirk L. Sorgi、Bruce E. Maryanoff

  DOI：10.1016/j.tetasy.2004.02.028

  日期：2004.4

  The synthesis, resolution, and stereochemical characterization of novel piperazino-, thiazino-, and oxazinoberizodiazepines are described. The absolute stereochemistry of the heterotricycles was determined by using X-ray crystallography and the enantiomeric purity was determined by using Pirkle-solvent NMR techniques and chiral HPLC. (C) 2004 Elsevier Ltd. All rights reserved.