3,3',5,5'-tetra-trifluoromethyl benzhydrylamine | 205117-39-1

• 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: 3,3',5,5'-tetra-trifluoromethyl benzhydrylamine
• 英文别名: Di[3,5-di(trifluoromethyl)phenyl]methylamine；bis[3,5-bis(trifluoromethyl)phenyl]methanamine
• CAS: 205117-39-1
• 化学式: C₁₇H₉F₁₂N
• 分子量: 455.246
• InChiKey: HIPPQMPKQOMYIJ-UHFFFAOYSA-N

物化性质

• 沸点：
  271.6±35.0 °C(Predicted)
• 密度：
  1.481±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  30
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  3,3',5,5'-tetra-trifluoromethyl benzhydrylamine 、 苯甲醛 在 magnesium sulfate 作用下， 以 二氯甲烷 为溶剂， 反应 24.08h， 以79%的产率得到N-benzylidene-bis(3,5-di-trifluoromethylphenyl)methylamine
  参考文献：
  名称：

  Mapping the Active Site in a Chemzyme: Diversity in the N-Substituent in the Catalytic Asymmetric Aziridination of Imines

  摘要：

  The active site of the aziridination catalyst derived from either the VANOL or VAPOL ligand and B(OPh)(3) is larger than expected and can accommodate not only significant substitution on the diarylmethyl unit of the imine but also that alkyl (but not perfluorylalkyl) substituents on the aryl groups lead to enhanced rates and enantioselection. The screen of diarylmethyl N-substituents on the imine revealed that the 3,5-di-tert-butyldianisylmethyl group (BUDAM) gave exceptionally high asymmetric inductions for imines of aryl aldehydes.

  DOI：

  10.1021/ol802431v
• 作为产物：
  描述：

  3,3',5,5'-tetrakis(trifluoromethyl)benzophenone oxime 在 硼烷四氢呋喃络合物 作用下， 以 四氢呋喃 为溶剂， 以59%的产率得到3,3',5,5'-tetra-trifluoromethyl benzhydrylamine
  参考文献：
  名称：

  Mapping the Active Site in a Chemzyme: Diversity in the N-Substituent in the Catalytic Asymmetric Aziridination of Imines

  摘要：

  The active site of the aziridination catalyst derived from either the VANOL or VAPOL ligand and B(OPh)(3) is larger than expected and can accommodate not only significant substitution on the diarylmethyl unit of the imine but also that alkyl (but not perfluorylalkyl) substituents on the aryl groups lead to enhanced rates and enantioselection. The screen of diarylmethyl N-substituents on the imine revealed that the 3,5-di-tert-butyldianisylmethyl group (BUDAM) gave exceptionally high asymmetric inductions for imines of aryl aldehydes.

  DOI：

  10.1021/ol802431v

文献信息

• 2,4-Pyrimidinediamine Compounds and Their Uses
  申请人：Singh Rajinder

  公开号：US20150266828A1

  公开（公告）日：2015-09-24

  The present invention provides 2,4-pyrimidinediamine compounds that inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators, intermediates and methods of synthesizing the compounds and methods of using the compounds in a variety of contexts, including in the treatment and prevention of diseases characterized by, caused by or associated with the release of chemical mediators via degranulation and other processes effected by activation of the IgE and/or IgG receptor signaling cascades.

  本发明提供了抑制IgE和/或IgG受体信号级联反应的2,4-嘧啶二胺化合物，该级联反应导致化学介质的释放，以及合成这些化合物的中介体和方法，以及在多种情况下使用这些化合物的方法，包括在治疗和预防由脱粒和其他由IgE和/或IgG受体信号级联反应激活引起的化学介质释放所表征、引起或相关的疾病。
• 2, 4-pyrimidinediamine compounds and their uses
  申请人：Singh Rajinder

  公开号：US20050038243A1

  公开（公告）日：2005-02-17

  The present invention provides 2,4-pyrimidinediamine compounds that inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators, intermediates and methods of synthesizing the compounds and methods of using the compounds in a variety of contexts, including in the treatment and prevention of diseases characterized by, caused by or associated with the release of chemical mediators via degranulation and other processes effected by activation of the IgE and/or IgG receptor signaling cascades.

  本发明提供了抑制IgE和/或IgG受体信号级联，从而导致化学介质释放的2,4-嘧啶二胺化合物，以及合成这些化合物的中间体和方法，以及在多种情况下使用这些化合物的方法，包括在治疗和预防通过去颗粒化和其他由IgE和/或IgG受体信号级联激活的过程引起或与之相关的化学介质释放所表征的疾病中使用。
• 2,4-Pyrimidinediamine compounds and their uses
  申请人：——

  公开号：US20040029902A1

  公开（公告）日：2004-02-12

  The present invention provides 2,4-pyrimidinediamine compounds that inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators, intermediates and methods of synthesizing the compounds and methods of using the compounds in a variety of contexts, including in the treatment and prevention of diseases characterized by, caused by or associated with the release of chemical mediators via degranulation and other processes effected by activation of the IgE and/or IgG receptor signaling cascades.

  本发明提供了抑制IgE和/或IgG受体信号级联引起化学介质释放的2,4-嘧啶二胺化合物，以及合成这些化合物的中间体和方法，以及在多种情境下使用这些化合物的方法，包括在治疗和预防由通过激活IgE和/或IgG受体信号级联引起的脱颗粒化和其他过程释放化学介质的疾病中。
• 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES
  申请人：Singh Rajinder

  公开号：US20070225321A1

  公开（公告）日：2007-09-27

  The present invention provides 2,4-pyrimidinediamine compounds that inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators, intermediates and methods of synthesizing the compounds and methods of using the compounds in a variety of contexts, including in the treatment and prevention of diseases characterized by, caused by or associated with the release of chemical mediators via degranulation and other processes effected by activation of the IgE and/or IgG receptor signaling cascades.

  本发明提供了能够抑制IgE和/或IgG受体信号级联反应从而导致化学介质释放的2,4-嘧啶二胺化合物，以及合成这些化合物的中间体和方法，以及在各种情况下使用这些化合物的方法，包括用于治疗和预防通过去颗粒化和其他通过激活IgE和/或IgG受体信号级联反应引起的化学介质释放所表征的，由化学介质引起或相关的疾病。
• 2,4-Pyrimidinediamine Compounds and their Uses
  申请人：SINGH Rajinder

  公开号：US20110144330A1

  公开（公告）日：2011-06-16

  The present invention provides 2,4-pyrimidinediamine compounds that inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators, intermediates and methods of synthesizing the compounds and methods of using the compounds in a variety of contexts, including in the treatment and prevention of diseases characterized by, caused by or associated with the release of chemical mediators via degranulation and other processes effected by activation of the IgE and/or IgG receptor signaling cascades.

  本发明提供了能够抑制IgE和/或IgG受体信号级联，从而导致化学介质释放的2,4-嘧啶二胺化合物，以及合成这些化合物的中间体和方法，以及在各种情况下使用这些化合物的方法，包括在通过去颗粒化和其他由IgE和/或IgG受体信号级联激活的过程引起的、由化学介质释放所表征、引起或相关的疾病的治疗和预防。