2,2,2-Trifluoro-1-[4-hydroxy-5-(1-hydroxyimino-ethyl)-10-aza-tricyclo[6.3.1.02,7]-dodeca-2(7),3,5-trien-10-yl]-ethanone | 230615-85-7

• 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: 2,2,2-Trifluoro-1-[4-hydroxy-5-(1-hydroxyimino-ethyl)-10-aza-tricyclo[6.3.1.02,7]-dodeca-2(7),3,5-trien-10-yl]-ethanone
• 英文别名: 2,2,2-trifluoro-1-[4-hydroxy-5-(N-hydroxy-C-methylcarbonimidoyl)-10-azatricyclo[6.3.1.02,7]dodeca-2,4,6-trien-10-yl]ethanone
• CAS: 230615-85-7
• 化学式: C₁₅H₁₅F₃N₂O₃
• 分子量: 328.291
• InChiKey: LOXSBWBACZVJTK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  23
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  73.1
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2,2,2-Trifluoro-1-[4-hydroxy-5-(1-hydroxyimino-ethyl)-10-aza-tricyclo[6.3.1.02,7]-dodeca-2(7),3,5-trien-10-yl]-ethanone 、 乙酸酐 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到
  参考文献：
  名称：

  3,5-Bicyclic aryl piperidines: A novel class of α4β2 neuronal nicotinic receptor partial agonists for smoking cessation

  摘要：

  3,5-Bicyclic aryl piperidines are a new class of high-affinity alpha 4 beta 2 nicotinic receptor agents. We have sought nicotinic receptor partial agonists of the alpha 4 beta 2 nicotinic acetylcholine receptor for smoking cessation, and a number of compounds fulfill potency, selectivity, and efficacy requirements in vitro. In vivo, selected agents demonstrate potent partial agonist efficacy on the mesolimbic doparnine system, a key measure of therapeutic potential for smoking cessation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.035
• 作为产物：
  描述：

  1-(4-Acetyl-5-hydroxy-10-aza-tricyclo[6.3.1.02,7]dodeca-2(7),3,5-trien-10-yl)-2,2,2-trifluoro-ethanone 在 盐酸羟胺 、 sodium acetate 作用下， 以 甲醇 为溶剂， 以93%的产率得到2,2,2-Trifluoro-1-[4-hydroxy-5-(1-hydroxyimino-ethyl)-10-aza-tricyclo[6.3.1.02,7]-dodeca-2(7),3,5-trien-10-yl]-ethanone
  参考文献：
  名称：

  3,5-Bicyclic aryl piperidines: A novel class of α4β2 neuronal nicotinic receptor partial agonists for smoking cessation

  摘要：

  3,5-Bicyclic aryl piperidines are a new class of high-affinity alpha 4 beta 2 nicotinic receptor agents. We have sought nicotinic receptor partial agonists of the alpha 4 beta 2 nicotinic acetylcholine receptor for smoking cessation, and a number of compounds fulfill potency, selectivity, and efficacy requirements in vitro. In vivo, selected agents demonstrate potent partial agonist efficacy on the mesolimbic doparnine system, a key measure of therapeutic potential for smoking cessation. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.08.035

文献信息

• Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic componunds
  申请人：——

  公开号：US20030060624A1

  公开（公告）日：2003-03-27

  The present invention relates to processes for the preparation of any of the intermediate 1,3-substituted indenes of the formulae (Ia), (Ib) and (Ic) or a mixture thereof: 1 wherein R 1 , R 2 , R 3 , R 4 , and R 5 are defined herein. Compounds of formulae (Ia), (Ib) and (IC) or mixtures thereof are useful in the preparation of compounds of formula (II): 2 wherein R 2 , R 3 and R 6 are also defined herein.

  本发明涉及制备任何中间体1,3-取代茚的过程，其化学式为(Ia)，(Ib)和(Ic)或其混合物：1其中R1、R2、R3、R4和R5在此定义。化合物的化学式(Ia)，(Ib)和(IC)或其混合物在制备化合物的化学式(II)方面有用：2其中R2、R3和R6也在此定义。
• Aryl fused azapolycyclic compounds
  申请人：——

  公开号：US20020072524A1

  公开（公告）日：2002-06-13

  Compounds of the formula 1 and their pharmaceutically acceptable salts, wherein R 1 , R 2 , R 3 and n are defined as in the specification, intermediates in the synthesis of such compounds, pharmaceutical compositions containing such compounds and methods of using such compounds in the treatment of neurological and psychological disorders are claimed.

  本发明声明了式1的化合物及其药学上可接受的盐，其中R1、R2、R3和n的定义如规范中所述，用于合成这种化合物的中间体，包含这种化合物的制药组合物以及使用这种化合物治疗神经系统和心理障碍的方法。
• Process for the preparation of 1,3-substituted indenes and aryl-fused azapolycyclic compounds
  申请人：Singer A. Robert

  公开号：US20060079707A1

  公开（公告）日：2006-04-13

  The present invention relates to processes for the preparation of any of the intermediate 1,3-substituted indenes of the formulae (Ia), (Ib) and (Ic) or a mixture thereof: wherein R 1 , R 2 , R 3 , R 4 , and R 5 are defined herein. Compounds of formulae (Ia), (Ib) and (Ic) or mixtures thereof are useful in the preparation of compounds of formula (II): wherein R 2 , R 3 and R 6 are also defined herein.

  本发明涉及制备公式(Ia)、(Ib)和(Ic)中任何一种或其混合物的中间体1,3-取代茚的过程：其中R1、R2、R3、R4和R5的定义如本文所述。 公式(Ia)、(Ib)和(Ic)或其混合物的化合物在制备公式(II)的化合物中有用：其中R2、R3和R6的定义也如本文所述。
• ARYL FUSED AZAPOLYCYCLIC COMPOUNDS
  申请人：Coe Wadsworth Jotham

  公开号：US20070275973A1

  公开（公告）日：2007-11-29

  Compounds of the formula and their pharmaceutically acceptable salts, wherein R 1 , R 2 , R 3 and n are defined as in the specification, intermediates in the synthesis of such compounds, pharmaceutical compositions containing such compounds and methods of using such compounds in the treatment of neurological and psychological disorders are claimed.

  本发明涉及一种公式的化合物及其药学上可接受的盐，其中R1、R2、R3和n如规范中所定义，以及用于合成这种化合物的中间体，含有这种化合物的制药组合物以及使用这种化合物治疗神经和心理疾病的方法。