5-cyano-10,11-dihydro-10-hydroxy-5H-dibenz[b,f]azepine phthalic ester | 888970-92-1

• 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: 5-cyano-10,11-dihydro-10-hydroxy-5H-dibenz[b,f]azepine phthalic ester
• 英文别名: 2-[(11-Cyano-5,6-dihydrobenzo[b][1]benzazepin-5-yl)oxycarbonyl]benzoic acid
• CAS: 888970-92-1
• 化学式: C₂₃H₁₆N₂O₄
• 分子量: 384.391
• InChiKey: ZUDHOKVWAFTLCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  90.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  5-cyano-10,11-dihydro-10-hydroxy-5H-dibenz[b,f]azepine phthalic ester 、 (S)-(-)- α-甲基苄胺 以 甲醇 、 二氯甲烷 、 环己烷 为溶剂， 反应 0.5h， 生成 2-[[(5R)-11-cyano-5,6-dihydrobenzo[b][1]benzazepin-5-yl]oxycarbonyl]benzoic acid;(1S)-1-phenylethanamine 、 2-[[(5S)-11-cyano-5,6-dihydrobenzo[b][1]benzazepin-5-yl]oxycarbonyl]benzoic acid;(1S)-1-phenylethanamine
  参考文献：
  名称：

  WO2006/56339

  摘要：

  公开号：
• 作为产物：
  描述：

  苯酐 、 5-Carbamoyl-5H-dibenz[b,f]azepinEN5-Cyano-10-hydroxy-10,11-dihydro-5H-dibenz[b,f]azepine 在 吡啶 、 4-二甲氨基吡啶 、 盐酸 作用下， 以 二氯甲烷 、 水 为溶剂， 反应 1.0h， 生成 5-cyano-10,11-dihydro-10-hydroxy-5H-dibenz[b,f]azepine phthalic ester
  参考文献：
  名称：

  WO2006/56339

  摘要：

  公开号：

文献信息

• [EN] PROCESS FOR THE PREPARATION OF (S)-(+)-OR (R)-(-)-10 HYDROXY DIHYDRODIBENZ[B,F]AZEPINES BY ENANTIOSELECTIVE REDUCTION OF 10, 11-DIHYDRO-10-OXO-5H-DIBENZ[B,F]AZEPINES AND POLYMORPHS THEREOF<br/>[FR] PROCÉDÉ DE PRÉPARATION DE (S)-(+)- OU (R)-(-)-10-HYDROXYDIHYDRODIBENZ[B,F]- AZÉPINES PAR RÉDUCTION ÉNANTIOSÉLECTIVE DE 10,11-DIHYDRO-10-OXO-5H- DIBENZ[B,F]AZÉPINES ET DE POLYMORPHES DE CELLES-CI
  申请人：JUBILANT LIFE SCIENCES LTD

  公开号：WO2012120356A2

  公开（公告）日：2012-09-13

  The present invention provides a novel process for the preparation of substituted optically pure (S)-(+)- or (R)-(-)-10-hydroxy-dihydrodibenz[b,f]azepines or derivatives thereof, starting from 10,11-dihydro-10-oxo-5H-dibenz[b,f]azepines using boronate esters or their derivatives. The present invention also provides use of thus prepared (S)-(+)- or (R)-(-)- 10-hydroxy-dihydrodibenz[b,f]azepines for the preparation of their ester such as (S)-(-)- 10-acetoxy-10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide, or (R)-(+)-10-acetoxy- 10,11-dihydro-5H-dibenz[b,f]azepine-5-carboxamide. The present invention also provides novel solid state crystalline forms J1, J2, J3, J4 and amorphous form of eslicarbazepine and the process for the preparation thereof. Also, the present invention provides novel solid state crystalline form and amorphous form of eslicarbazepine acetate and the process for the preparation thereof. The novel solid state forms of eslicarbazepine are useful for the preparation of derivatives of eslicarbazepine such as eslicarbazepine acetate.

  本发明提供了一种新型的过程，用硼酸酯或其衍生物从10,11-二氢-10-氧代-5H-二苯并[b,f]氮杂环制备取代的光学纯(S)-(+)-或(R)-(-)-10-羟基-二氢-二苯并[b,f]氮杂环或其衍生物。本发明还提供了利用这样制备的(S)-(+)-或(R)-(-)-10-羟基-二氢-二苯并[b,f]氮杂环制备它们的酯，例如(S)-(-)-10-乙酰氧基-10,11-二氢-5H-二苯并[b,f]氮杂环-5-羧酰胺或(R)-(+)-10-乙酰氧基-10,11-二氢-5H-二苯并[b,f]氮杂环-5-羧酰胺。本发明还提供了新的固态晶体形式J1、J2、J3、J4和eslicarbazepine的非晶态形式及其制备过程。此外，本发明还提供了eslicarbazepine乙酸盐的新的固态晶体形式和非晶态形式及其制备过程。eslicarbazepine的新的固态形式对于制备eslicarbazepine乙酸盐等eslicarbazepine衍生物非常有用。
• A PROCESS FOR THE PREPARATION OF (S)-(+)-10,11-DIHYDRO-10-HYDROXY-5H-DIBENZ[B,F]AZEPINE-5-CARBOXAMIDE
  申请人：FARCHEMIA S.r.l.

  公开号：EP1833798A1

  公开（公告）日：2007-09-19
• Process for the preparation of (S)-(+)-10,11-Dihydro-10-hydroxy-5H-dibenz (B,F) azepine-5-carboxamide
  申请人：Panunzio Mauro

  公开号：US20090105472A1

  公开（公告）日：2009-04-23

  (S)-(+)-10,11-Dihydro-10-hydroxy-5H-dibenz[b,f]azepine-5-carboxyamide is prepared starting from racemic 5-cyano-10,11-dihydro-10-hydroxy-5H-dibenz[b,f]azepine by phthaloylation, separation of the diastereomeric salts of the phthaloyl derivative with (S)-phenylethylamine, hydrolysis of the (S, S) salt to (S)-(+)-5-cyano-10,11-dihydro-10-hydroxy-5H-dibenz[b,f]azepine and hydrolysis of the nitrile group of the latter to amido group, by treatment with peroxy compounds in alkali medium.
• US7858780B2
  申请人：——

  公开号：US7858780B2

  公开（公告）日：2010-12-28
• US9346760B2
  申请人：——

  公开号：US9346760B2

  公开（公告）日：2016-05-24