allyl[1-(2-bromo-5-chlorophenyl)-but-3-enyl]carbamic acid benzyl ester | 1187201-09-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: allyl[1-(2-bromo-5-chlorophenyl)-but-3-enyl]carbamic acid benzyl ester
• 英文别名: benzyl N-[1-(2-bromo-5-chlorophenyl)but-3-enyl]-N-prop-2-enylcarbamate
• CAS: 1187201-09-7
• 化学式: C₂₁H₂₁BrClNO₂
• 分子量: 434.76
• InChiKey: GQKNOGUGVHLACI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  26
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  allyl[1-(2-bromo-5-chlorophenyl)-but-3-enyl]carbamic acid benzyl ester 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 三乙基硅烷 、 碘代三甲硅烷 、 palladium diacetate 、 三乙胺 、 N,N-二异丙基乙胺 、 三(邻甲基苯基)磷 、 三氟乙酸 、 2-(二叔丁基膦)联苯 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 C₁₈H₁₉NO₂S
  参考文献：
  名称：

  Expedient Synthesis of Norbenzomorphan Library via Multicomponent Assembly Process Coupled with Ring-Closing Reactions

  摘要：

  A 124-member norbenzomorphan library has been prepared utilizing a novel multicomponent assembly process (MCAP) followed by a variety of ring-closing reactions to generate norbenzomorphan scaffolds that were readily derivatized via a series of aryl halide cross-coupling and nitrogen functionalization reactions. Biological screening has revealed some novel activities that have not been previously associated with this class of compounds.

  DOI：

  10.1021/co300068a
• 作为产物：
  描述：

  2-溴-5-氯苯甲醛 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 allyl[1-(2-bromo-5-chlorophenyl)-but-3-enyl]carbamic acid benzyl ester
  参考文献：
  名称：

  Expedient Synthesis of Norbenzomorphan Library via Multicomponent Assembly Process Coupled with Ring-Closing Reactions

  摘要：

  A 124-member norbenzomorphan library has been prepared utilizing a novel multicomponent assembly process (MCAP) followed by a variety of ring-closing reactions to generate norbenzomorphan scaffolds that were readily derivatized via a series of aryl halide cross-coupling and nitrogen functionalization reactions. Biological screening has revealed some novel activities that have not been previously associated with this class of compounds.

  DOI：

  10.1021/co300068a

文献信息

• Synthesis of diverse heterocyclic scaffolds via tandem additions to imine derivatives and ring-forming reactions
  作者：James D. Sunderhaus、Chris Dockendorff、Stephen F. Martin

  DOI：10.1016/j.tet.2009.05.009

  日期：2009.8

  for the efficient syntheses of diverse arrays of heterocyclic compounds. The key elements of the approach comprise a Mannich-type, multicomponent coupling reaction in which functionalized amines, aromatic aldehydes, acylating agents, and π- and organometallic nucleophiles are combined to generate intermediates that are then further transformed into diverse heterocyclic scaffolds via a variety of cyclization

  已开发出一种用于高效合成多种杂环化合物的新策略。该方法的关键要素包括曼尼希型多组分偶联反应，其中将官能化胺、芳香醛、酰化剂以及 π- 和有机金属亲核试剂结合以生成中间体，然后通过各种方式进一步转化为各种杂环支架。环化流形。重要的是，这些支架中的许多具有功能性，可通过进一步操作来利用这些功能性来创建具有在生物活性天然产物和临床上有用的药物中发现的亚结构的化合物的不同集合。这种策略的实际效用体现在它应用于第一个，
• [EN] PIPERAZINYL NORBENZOMORPHAN COMPOUNDS AND METHODS FOR USING THE SAME<br/>[FR] COMPOSÉS DE PIPÉRAZINYL NORBENZOMORPHANE ET PROCÉDÉS D'UTILISATION DE CEUX-CI
  申请人：UNIV TEXAS

  公开号：WO2017070229A1

  公开（公告）日：2017-04-27

  Disclosed herein, inter alia, are piperazinyl norbenzom orphan compounds and uses thereof, including, for example, methods for treating a CNS disease, treating traumatic brain injury, improving cognition, or diagnosing and treating cancer.

  本公开的内容包括哌嗪基苯并孤儿化合物及其用途，例如用于治疗中枢神经系统疾病、治疗创伤性脑损伤、改善认知功能，或诊断和治疗癌症的方法。
• Compounds and methods for treating cancer, neurological disorders, ethanol withdrawal, anxiety, depression, and neuropathic pain
  申请人：Board of Regents, The University of Texas System

  公开号：US10450275B2

  公开（公告）日：2019-10-22

  Provided herein, inter alia, are compounds and methods of treating diseases including cancer, neurological disease, alcohol withdrawal, depression and anxiety, and neuropathic pain.

  本文特别提供了用于治疗癌症、神经系统疾病、戒酒、抑郁和焦虑以及神经性疼痛等疾病的化合物和方法。
• [EN] COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN<br/>[FR] COMPOSÉS ET MÉTHODES POUR LE TRAITEMENT DU CANCER, DES TROUBLES NEUROLOGIQUES, DU SEVRAGE DE L'ÉTHANOL, DE L'ANXIÉTÉ, DE LA DÉPRESSION, ET DE LA DOULEUR NEUROPATHIQUE
  申请人：UNIV TEXAS

  公开号：WO2015009742A3

  公开（公告）日：2015-03-19
• COMPOUNDS AND METHODS FOR TREATING CANCER, NEUROLOGICAL DISORDERS, ETHANOL WITHDRAWAL, ANXIETY, DEPRESSION, AND NEUROPATHIC PAIN
  申请人：Board of Regents, The University of Texas System

  公开号：EP3022207A2

  公开（公告）日：2016-05-25