benzyl 2-(2-bromo-6-chlorophenyl)-1,2,3,6-tetrahydropyridine-1(2H)-carboxylate | 1296216-50-6

• 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: benzyl 2-(2-bromo-6-chlorophenyl)-1,2,3,6-tetrahydropyridine-1(2H)-carboxylate
• 英文别名: benzyl 6-(2-bromo-6-chlorophenyl)-5,6-tetrahydropyridine-1(2H)-carboxylate；benzyl 2-(2-bromo-6-chlorophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
• CAS: 1296216-50-6
• 化学式: C₁₉H₁₇BrClNO₂
• 分子量: 406.706
• InChiKey: WJEMZCLNGFLTCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 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：

  benzyl 2-(2-bromo-6-chlorophenyl)-1,2,3,6-tetrahydropyridine-1(2H)-carboxylate 在 三乙基硅烷 、 palladium diacetate 、 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 benzyl 9-(4-(trifluoromethyl)phenyl)-4,5-dihydro-1H-1,5-methanobenzo[c]azepine-2(3H)-carboxylate
  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：

  氯甲酸苄酯 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 benzyl 2-(2-bromo-6-chlorophenyl)-1,2,3,6-tetrahydropyridine-1(2H)-carboxylate
  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

• [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
• Facile and Unified Approach to Skeletally Diverse, Privileged Scaffolds
  作者：James J. Sahn、Justin Y. Su、Stephen F. Martin

  DOI：10.1021/ol200709h

  日期：2011.5.20

  A novel strategy has been developed to generate a diverse array of privileged scaffolds from readily available tetrahydropyridine precursors that may be prepared by a multicomponent assembly process followed by a ring-closing metathesis. The functionality embedded in these key Intermediates enables their facile elaboration into more complex structures of biological relevance by a variety of ring-forming processes and refunctionalizations.
• 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：US20160280657A1

  公开（公告）日：2016-09-29

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