tert-butyl 4-cyano-4-(6-chloropyridin-2-yl)piperidine-1-carboxylate | 1196973-44-0

• 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: tert-butyl 4-cyano-4-(6-chloropyridin-2-yl)piperidine-1-carboxylate
• 英文别名: tert-butyl 4-(6-chloropyridin-2-yl)-4-cyanopiperidine-1-carboxylate；Tert-butyl 4-cyano-4-(6-chloropyridin-2-yl)piperidine-1-carboxylate
• CAS: 1196973-44-0
• 化学式: C₁₆H₂₀ClN₃O₂
• 分子量: 321.807
• InChiKey: XLMUHSIWRQNHDT-UHFFFAOYSA-N

物化性质

• 沸点：
  476.2±45.0 °C(Predicted)
• 密度：
  1.23±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  66.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-cyano-4-(6-chloropyridin-2-yl)piperidine-1-carboxylate 在 镍 氢气 、 三乙胺 作用下， 以 甲醇 为溶剂， 反应 5.0h， 生成 tert-butyl 4-(aminomethyl)-4-(6-chloropyridin-2-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  WO2007/41025

  摘要：

  公开号：
• 作为产物：
  描述：

  2,6-二氯吡啶 、 N-Boc-4-氰基哌啶 在 双(三甲基硅烷基)氨基钾 作用下， 以 甲苯 为溶剂， 生成 tert-butyl 4-cyano-4-(6-chloropyridin-2-yl)piperidine-1-carboxylate
  参考文献：
  名称：

  WO2007/41025

  摘要：

  公开号：

文献信息

• [EN] N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS<br/>[FR] MODULATEURS ALLOSTÉRIQUES POSITIFS DU RÉCEPTEUR M1 CONTENANT DES LACTAMES LIÉS À N
  申请人：MERCK SHARP & DOHME

  公开号：WO2012158475A1

  公开（公告）日：2012-11-22

  The present invention is directed to N-linked lactam compounds of general formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及一般式（I）的N-连接内酰胺化合物，这些化合物是M1受体阳性变构调节剂，可用于治疗涉及M1受体的疾病，如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。该发明还涉及包括这些化合物的药物组合物，以及在治疗由M1受体介导的疾病中使用这些化合物和组合物。
• Radiolabeled Glycine Trasporter Inhibitors
  申请人：Burns H. Donald

  公开号：US20090269278A1

  公开（公告）日：2009-10-29

  The present invention is directed to radiolabeled glycine transporter inhibitors which are useful for the labeling and diagnostic imaging of glycine transporters in mammals.

  本发明涉及放射性标记的甘氨酸转运抑制剂，用于哺乳动物体内甘氨酸转运体的标记和诊断成像。
• Radiolabeled glycine transporter inhibitors
  申请人：Merck Sharp & Dohme Corp.

  公开号：US07834031B2

  公开（公告）日：2010-11-16

  The present invention is directed to radiolabeled glycine transporter inhibitors which are useful for the labeling and diagnostic imaging of glycine transporters in mammals.

  本发明涉及放射性标记的甘氨酸转运抑制剂，可用于标记和诊断哺乳动物中的甘氨酸转运体。
• N-LINKED LACTAM M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS
  申请人：Kuduk Scott D.

  公开号：US20150065498A1

  公开（公告）日：2015-03-05

  The present invention is directed to N-linked lactam compounds of general formula (I) which are M1 receptor positive allosteric modulators and that are useful in the treatment of diseases in which the M1 receptor is involved, such as Alzheimer's disease, schizophrenia, pain or sleep disorders. The invention is also directed to pharmaceutical compositions comprising the compounds, and to the use of the compounds and compositions in the treatment of diseases mediated by the M1 receptor.

  本发明涉及一般式（I）的N-连接内酰胺化合物，它们是M1受体正向变构调节剂，可用于治疗M1受体参与的疾病，例如阿尔茨海默病、精神分裂症、疼痛或睡眠障碍。本发明还涉及包含这些化合物的药物组合物，以及在治疗M1受体介导的疾病中使用这些化合物和组合物的方法。
• Preparation of 4-heteroaryl-4-cyanopiperidines via SNAr substitution reactions
  作者：Ronald K. Chang、Christina N. Di Marco、Daniel R. Pitts、Thomas J. Greshock、Scott D. Kuduk

  DOI：10.1016/j.tetlet.2009.08.123

  日期：2009.11

  The scope and limitations of SNAr substitution reactions of metalated 4-cyanopiperidines with heterocyclic halides were explored. These facile reactions provide rapid access to a wide range of 4-heteroaryl-4-cyanopiperidines and have resulted in improved yields, faster reaction times, and lower temperatures than previously published synthetic methods. (C) 2009 Elsevier Ltd. All rights reserved.