2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯氮卓类
• 英文名称: 2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide
• 英文别名: 7,8-dihydroxy-2,3,4,5-tetrahydro-1H-3-benzazepine hydrobromide；1H-3-Benzazepine-7,8-diol,2,3,4,5-tetrahydro-,hydrobromide(1:1)；2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol;hydrobromide
• 化学式: BrH*C₁₀H₁₃NO₂
• 分子量: 260.131
• InChiKey: BLMGUYDOPGWYHP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.36
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  52.5
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide 在 DDQ (2,3-dichloro-5,6-dicyano-1,4-benzoquinone) 作用下， 以 甲醇 为溶剂， 生成 2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-dione hydrobromide
  参考文献：
  名称：

  6-（苯甲硫基）取代的2,3,4,5-四氢-1H-3-苯并ze庚因，一类新的多巴胺受体拮抗剂和抗精神病药。

  摘要：

  DOI：

  10.1021/jm00183a002
• 作为产物：
  描述：

  7,8-dimethoxy-2,3,4,5-tetrahydro-1H-3-benzazepine 在 氢溴酸 作用下， 生成 2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol hydrobromide
  参考文献：
  名称：

  6-（苯甲硫基）取代的2,3,4,5-四氢-1H-3-苯并ze庚因，一类新的多巴胺受体拮抗剂和抗精神病药。

  摘要：

  DOI：

  10.1021/jm00183a002

文献信息

• 6-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its acid addition salts and its use as an intermediate
  申请人：SMITHKLINE BECKMAN CORPORATION

  公开号：EP0080012A1

  公开（公告）日：1983-06-01

  6-Chloro-3-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its acid addition salts and its use as an intermediate to prepare mercapto substituted-2,3,4,5-tetrahydro-1H-3- benzazepines as disclosed in European Patent Application No. 79102279.1.

  欧洲专利申请 79102279.1 号中公开的 6-氯-3-甲基-2,3,4,5-四氢-1H-3-苯并氮杂卓、其酸加成盐及其作为中间体制备巯基取代的-2,3,4,5-四氢-1H-3-苯并氮杂卓的用途。
• SAR studies of capsazepinoid bronchodilators. Part 1: The importance of the catechol moiety and aspects of the B-ring structure
  作者：Marı´a F. Dalence-Guzmán、Magnus Berglund、Staffan Skogvall、Olov Sterner

  DOI：10.1016/j.bmc.2007.11.055

  日期：2008.3

  Capsazepine as well as its derivatives and analogues are general inhibitors of constriction of human small airways. From a systematic variation of the capsazepine structure, divided into four regions, SARs were established. This part concerns the catechol moiety of the A-ring as well as the 2,3,4,5-tetrahydro-1H-2-azepine moiety (the B-ring) of capsazepine. It is revealed that a conformational constrain (as a fused ring) is important and that compounds with a six-membered B-ring (as a 1,2,3,4-tetrahydroisoquinoline) in general are more potent than the corresponding isoindoline, 2,3,4,5 -tetrahydro-1H-2-benzazepi ne and 2,3,4,5-tetrahydro-1H-3-benzazepine derivatives. (C) 2007 Elsevier Ltd. All rights reserved.
• 2,3,4,5-Tetrahydro-1H-3-Benzazepines, process for their production and pharmaceutical compositions having dopamine receptor blocking activity
  申请人：SMITHKLINE BECKMAN CORPORATION

  公开号：EP0007070B1

  公开（公告）日：1983-01-19
• KAISER C.; ALI F. E.; BONDINELL W. E.; BRENNER M.; HOLDEN K. G.; KU T. W.+, J. MED. CHEM., 1980, 23, NO 9, 975-976
  作者：KAISER C.、 ALI F. E.、 BONDINELL W. E.、 BRENNER M.、 HOLDEN K. G.、 KU T. W.+

  DOI：——

  日期：——
• US4265890A
  申请人：——

  公开号：US4265890A

  公开（公告）日：1981-05-05