N-(1-(3,5-bis(trifluoromethyl)phenyl)ethyl)formamide | 742097-67-2

• 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: N-(1-(3,5-bis(trifluoromethyl)phenyl)ethyl)formamide
• 英文别名: N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]formamide
• CAS: 742097-67-2
• 化学式: C₁₁H₉F₆NO
• 分子量: 285.189
• InChiKey: WXZCRTCLDWQXHF-UHFFFAOYSA-N

物化性质

• 沸点：
  268.7±40.0 °C(Predicted)
• 密度：
  1.341±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  N-(1-(3,5-bis(trifluoromethyl)phenyl)ethyl)formamide 在 sodium tetrahydroborate 、 氯化锆(IV) 作用下， 以 乙腈 为溶剂， 生成 N-{4-[({(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}carbamothioyl)amino]phenyl}-1,3-thiazole-4-carboxamide
  参考文献：
  名称：

  Thiourea inhibitors of herpes viruses. Part 2: N-Benzyl-N′-arylthiourea inhibitors of CMV

  摘要：

  A series of highly potent thiourea inhibitors of cytomegalovirus (CMV) with improved stability properties was prepared and evaluated. Compound 29 inhibited the virus in cultured HFF cells with IC50 of 0.2 nM. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.04.093
• 作为产物：
  描述：

  3,5-双三氟甲基苯乙酮 、 甲酸铵 在 甲酸 、 formamide 作用下， 生成 N-(1-(3,5-bis(trifluoromethyl)phenyl)ethyl)formamide
  参考文献：
  名称：

  Thiourea inhibitors of herpes viruses. Part 2: N-Benzyl-N′-arylthiourea inhibitors of CMV

  摘要：

  A series of highly potent thiourea inhibitors of cytomegalovirus (CMV) with improved stability properties was prepared and evaluated. Compound 29 inhibited the virus in cultured HFF cells with IC50 of 0.2 nM. (C) 2004 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2004.04.093

文献信息

• Efficient Isocyanide-less Isocyanide-Based Multicomponent Reactions
  作者：Constantinos G. Neochoritis、Silvia Stotani、Bhupendra Mishra、Alexander Dömling

  DOI：10.1021/acs.orglett.5b00759

  日期：2015.4.17

  Isocyanides are the "Jekyll and Hyde" of organic chemistry allowing for extremely interesting transformations that are not only extremely odorous but also noxious. Therefore, an isocyanide-less isocyanide-based multicomponent reaction (IMCR) has been developed, and this protocol is expected to replace many of the old procedures in the future not only in IMCR but in other areas of organic chemistry as well.
• AZA-BICYCLO[3.1.0]HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS
  申请人：Pfizer Products Inc.

  公开号：EP1756056A1

  公开（公告）日：2007-02-28
• [EN] AZA-BICYCLO`3.1.0!HEX-1-YL DERIVATIVES ACTIVE AS NK1 ANTAGONISTS<br/>[FR] DERIVES D'AZA-BICYCLO`3.1.0!HEX-1-YL AGISSANT COMME ANTAGONISTES DE NK1
  申请人：PFIZER PROD INC

  公开号：WO2005121085A1

  公开（公告）日：2005-12-22

  The invention is to compounds exhibiting neurokinin inhibitory properties, pharmaceutical compositions comprising same and methods fo treatment for neurokinin-mediated conditions.
• Thiourea inhibitors of herpes viruses. Part 2: N-Benzyl-N′-arylthiourea inhibitors of CMV
  作者：Jonathan D. Bloom、Russell G. Dushin、Kevin J. Curran、Fran Donahue、Emily B. Norton、Eugene Terefenko、Thomas R. Jones、Adma A. Ross、Boris Feld、Stanley A. Lang、Martin J. DiGrandi

  DOI：10.1016/j.bmcl.2004.04.093

  日期：2004.7

  A series of highly potent thiourea inhibitors of cytomegalovirus (CMV) with improved stability properties was prepared and evaluated. Compound 29 inhibited the virus in cultured HFF cells with IC50 of 0.2 nM. (C) 2004 Published by Elsevier Ltd.