2-(3,5-bis(trifluoromethyl)benzyloxy)-N-methoxy-N-methylacetamide | 184970-01-2

• 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: 2-(3,5-bis(trifluoromethyl)benzyloxy)-N-methoxy-N-methylacetamide
• 英文别名: 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-methoxy-N-methylacetamide
• CAS: 184970-01-2
• 化学式: C₁₃H₁₃F₆NO₃
• 分子量: 345.242
• InChiKey: FWVJTJSCKVHTDC-UHFFFAOYSA-N

物化性质

• 沸点：
  268.7±50.0 °C(Predicted)
• 密度：
  1.349±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  2-(3,5-bis(trifluoromethyl)benzyloxy)-N-methoxy-N-methylacetamide 在 lithium aluminium tetrahydride 、 氨 、 zinc(II) iodide 作用下， 以 四氢呋喃 、 甲醇 、 乙醚 为溶剂， 反应 21.0h， 生成 3-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-2-phenylpropane-1,2-diamine
  参考文献：
  名称：

  Cyclic urea derivatives as potent NK1 selective antagonists

  摘要：

  A series of novel five- and six-membered ring urea derivatives have been described as potent and selective NK1 receptor antagonists. Several compounds in this series exhibited good oral activity and brain penetration. Syntheses of these compounds are also described herein. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.111
• 作为产物：
  描述：

  2-iodo-N-methoxy-N-methylacetamide 、 3,5-双三氟甲基苄醇 在 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以60%的产率得到2-(3,5-bis(trifluoromethyl)benzyloxy)-N-methoxy-N-methylacetamide
  参考文献：
  名称：

  Cyclic urea derivatives as potent NK1 selective antagonists

  摘要：

  A series of novel five- and six-membered ring urea derivatives have been described as potent and selective NK1 receptor antagonists. Several compounds in this series exhibited good oral activity and brain penetration. Syntheses of these compounds are also described herein. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.05.111

文献信息

• Substituted Heterocyclic Ethers and Their Use in CNS Disorders
  申请人：Bronson Joanne J.

  公开号：US20090124613A1

  公开（公告）日：2009-05-14

  The invention encompasses compounds of Formula I, including pharmaceutically acceptable salts, their pharmaceutical compositions, and their use in treating CNS disorders.

  这项发明涵盖了Formula I的化合物，包括药用盐，它们的药物组合物，以及它们在治疗中枢神经系统疾病中的用途。
• Substituted heterocyclic ethers and their use in CNS disorders
  申请人：Bristol-Myers Squibb Company

  公开号：US07632861B2

  公开（公告）日：2009-12-15

  The invention encompasses compounds of Formula I, including pharmaceutically acceptable salts, their pharmaceutical compositions, and their use in treating CNS disorders.

  该发明涵盖了I式化合物，包括药学上可接受的盐，它们的药物组合物以及它们在治疗中枢神经系统疾病中的应用。
• US7632861B2
  申请人：——

  公开号：US7632861B2

  公开（公告）日：2009-12-15
• [EN] SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS<br/>[FR] ÉTHERS HÉTÉROCYCLIQUES SUBSTITUÉS ET LEUR UTILISATION DANS DES TROUBLES DU SNC
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2009064684A1

  公开（公告）日：2009-05-22

  The invention encompasses compounds of Formula I, including pharmaceutically acceptable salts, their pharmaceutical compositions, and their use in treating CNS disorders. (I)
• Cyclic urea derivatives as potent NK1 selective antagonists
  作者：Ho-Jane Shue、Xiao Chen、Neng-Yang Shih、David J. Blythin、Sunil Paliwal、Ling Lin、Danlin Gu、John H. Schwerdt、Sapna Shah、Gregory A. Reichard、John J. Piwinski、Ruth A. Duffy、Jean E. Lachowicz、Vicki L. Coffin、Fei Liu、Amin A. Nomeir、Cynthia A. Morgan、Geoffrey B. Varty

  DOI：10.1016/j.bmcl.2005.05.111

  日期：2005.9

  A series of novel five- and six-membered ring urea derivatives have been described as potent and selective NK1 receptor antagonists. Several compounds in this series exhibited good oral activity and brain penetration. Syntheses of these compounds are also described herein. (c) 2005 Elsevier Ltd. All rights reserved.