ethyl 6-trifluoromethanesulfonyloxy-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate | 850991-80-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: ethyl 6-trifluoromethanesulfonyloxy-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
• 英文别名: Ethyl 6-trifluoromethanesulfonyloxy-3-azabicyclo[3.3.1] non-6-ene-3-carboxylate；ethyl 6-(trifluoromethylsulfonyloxy)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
• CAS: 850991-80-9
• 化学式: C₁₂H₁₆F₃NO₅S
• 分子量: 343.324
• InChiKey: KXUGQELCCFBNSW-UHFFFAOYSA-N

物化性质

• 沸点：
  394.2±42.0 °C(Predicted)
• 密度：
  1.46±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  81.3
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  ethyl 6-trifluoromethanesulfonyloxy-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate 、 3-吡啶硼酸 在 sodium carbonate 、 lithium chloride 作用下， 以 乙二醇二甲醚 、 水 为溶剂， 反应 4.0h， 以60%的产率得到ethyl 6-(3-pyridinyl)-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
  参考文献：
  名称：

  [EN] AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS
  [FR] COMPOSITIONS PHARMACEUTIQUES ET METHODES DESTINEES AU SOULAGEMENT DE LA DOULEUR ET AU TRAITEMENT DE TROUBLES DU SYSTEME NERVEUX CENTRAL

  摘要：

  公开号：

  WO2005037832A3
• 作为产物：
  描述：

  ethyl 6-oxo-3-azabicyclo[3.3.1]nonane-3-carboxylate 、 2-[N,正双(三氟甲烷烷磺酰)氨基]-5-氯吡啶 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 3.75h， 以31%的产率得到ethyl 6-trifluoromethanesulfonyloxy-3-azabicyclo[3.3.1]non-6-ene-3-carboxylate
  参考文献：
  名称：

  [EN] AZABICYCYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS
  [FR] COMPOSITIONS PHARMACEUTIQUES ET METHODES DESTINEES AU SOULAGEMENT DE LA DOULEUR ET AU TRAITEMENT DE TROUBLES DU SYSTEME NERVEUX CENTRAL

  摘要：

  公开号：

  WO2005037832A3

文献信息

• PHARMACEUTICAL COMPOSITIONS AND METHODS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS
  申请人：Breining R. Scott

  公开号：US20050282823A1

  公开（公告）日：2005-12-22

  Patients susceptible to or suffering from disorders, such as central nervous system disorders, which are characterized by an alteration in normal neurotransmitter release, such as dopamine release (e.g., Parkinsonism, Parkinson's Disease, Tourette's Syndrome, attention deficient disorder, or schizophrenia), are treated by administering a compound of Formulas 1 or 2, as described herein. The compounds of Formulas 1 and 2 are also useful for treating pain, and treating drug addiction, nicotine addiction, and/or obesity. The compounds can exist as individual stereoisomers, racemic mixtures, diastereomers and the like.

  对于易感受或患有疾病的患者，例如中枢神经系统疾病，其特征为正常神经递质释放的改变，例如多巴胺释放（例如帕金森症，帕金森氏病，抽动症，注意力缺陷障碍或精神分裂症），可以通过给予本文所述的1或2式化合物来治疗。 1和2式化合物也可用于治疗疼痛，药物成瘾，尼古丁成瘾和/或肥胖症。这些化合物可以存在于单个立体异构体，混合物，对映异构体等形式。
• Pharmaceutical Compositions and Methods for Relieving Pain and Treating Central Nervous System Disorders
  申请人：Breining Scott R.

  公开号：US20080242693A1

  公开（公告）日：2008-10-02

  Patients susceptible to or suffering from disorders, such as central nervous system disorders, which are characterized by an alteration in normal neurotransmitter release, such as dopamine release (e.g., Parkinsonism, Parkinson's Disease, Tourette's Syndrome, attention deficient disorder, or schizophrenia), are treated by administering a compound of Formulas 1 or 2, as described herein. The compounds of Formulas 1 and 2 are also useful for treating pain, and treating drug addiction, nicotine addiction, and/or obesity. The compounds can exist as individual stereoisomers, racemic mixtures, diastereomers and the like.

  患有或易感染神经系统紊乱（例如帕金森氏症、多动症、注意力缺陷障碍、精神分裂症等）的患者，其特征为神经递质释放（例如多巴胺释放）的异常改变，可通过给予本文所述的1或2式化合物治疗。1和2式化合物也可用于治疗疼痛、药物成瘾、尼古丁成瘾和/或肥胖症。这些化合物可以存在为单一立体异构体、混合物、对映异构体等形式。
• Pharmaceutical compositions and methods for relieving pain and treating central nervous system disorders
  申请人：Targacept, Inc.

  公开号：US07402592B2

  公开（公告）日：2008-07-22

  Patients susceptible to or suffering from disorders, such as central nervous system disorders, which are characterized by an alteration in normal neurotransmitter release, such as dopamine release (e.g., Parkinsonism, Parkinson's Disease, Tourette's Syndrome, attention deficient disorder, or schizophrenia), are treated by administering a compound of Formulas 1 or 2, as described herein. The compounds of Formulas 1 and 2 are also useful for treating pain, and treating drug addiction, nicotine addiction, and/or obesity. The compounds can exist as individual stereoisomers, racemic mixtures, diastereomers and the like.

  易感受或患有诸如中枢神经系统失调的疾病的患者，这些疾病的特征是神经递质的正常释放发生改变，例如多巴胺释放（例如帕金森症，帕金森氏病，抽动症，注意力缺陷障碍或精神分裂症），通过给予本文中所描述的1或2号配方的化合物进行治疗。 公式1和2的化合物还可用于治疗疼痛，药物成瘾，尼古丁成瘾和/或肥胖症。 这些化合物可以存在于单个立体异构体，混合物，对映异构体等形式。
• AZABICYCLIC COMPOUNDS FOR RELIEVING PAIN AND TREATING CENTRAL NERVOUS SYSTEM DISORDERS
  申请人：Targacept, Inc.

  公开号：EP1678172B1

  公开（公告）日：2009-12-09
• US7402592B2
  申请人：——

  公开号：US7402592B2

  公开（公告）日：2008-07-22