1-benzhydryl-4-(3,3-diphenyl-propyl)-piperazine | 48230-16-6

• 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: 1-benzhydryl-4-(3,3-diphenyl-propyl)-piperazine
• 英文别名: 1-Benzhydryl-4-(3,3-diphenylpropyl)piperazine
• CAS: 48230-16-6
• 化学式: C₃₂H₃₄N₂
• 分子量: 446.635
• InChiKey: CLZJJBZJUIWHJT-UHFFFAOYSA-N

物化性质

• 沸点：
  581.3±50.0 °C(Predicted)
• 密度：
  1.091±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  6.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (E)-1-二苯甲基-4-肉桂基哌嗪 、 苯 在 三氟甲磺酸 作用下， 反应 3.0h， 以75%的产率得到1-benzhydryl-4-(3,3-diphenyl-propyl)-piperazine
  参考文献：
  名称：

  Dicationic Electrophiles from Olefinic Amines in Superacid

  摘要：

  This paper describes the superacid-catalyzed chemistry of olefinic amines and related compounds. A variety of olefinic amines are found to react with benzene in CF3SO3H (triflic acid) to give addition products in good yields (75-99%), including the pharmaceutical agents fenpiprane and prozapine. A general mechanism is proposed that invokes the formation of reactive, dicationic electrophiles and the direct observation of a diprotonated species is reported from low-temperature NMR experiments. This chemistry is also used to conveniently prepare functionalized polystyrene beads having pendant amine groups.

  DOI：

  10.1021/jo030024z

文献信息

• SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF
  申请人：Zalicus Pharmaceuticals Ltd.

  公开号：EP2654726A1

  公开（公告）日：2013-10-30
• [EN] SOLID DISPERSION FORMULATIONS AND METHODS OF USE THEREOF<br/>[FR] FORMULATIONS DE DISPERSIONS SOLIDES ET LEURS PROCÉDÉS D'UTILISATION
  申请人：ZALICUS PHARMACEUTICALS LTD

  公开号：WO2012122279A1

  公开（公告）日：2012-09-13

  The present invention relates to formulations and methods for increasing the bioavailability of 1- (4-benzhydrylpiperazin-l-yl)-3,3-diphenylpropan-l-one, l-(3,3-diphenylpropanoyl)piperazine, or a salt thereof. In particular, the formulation can include one or more pharmaceutically acceptable matrix polymers to form a solid dispersion, e.g., a spray dried dispersion or a hot melt extrusion.
• Dicationic Electrophiles from Olefinic Amines in Superacid
  作者：Yun Zhang、Aaron McElrea、Gregorio V. Sanchez、Dat Do、Alma Gomez、Sharon L. Aguirre、Rendy、Douglas A. Klumpp

  DOI：10.1021/jo030024z

  日期：2003.6.1

  This paper describes the superacid-catalyzed chemistry of olefinic amines and related compounds. A variety of olefinic amines are found to react with benzene in CF3SO3H (triflic acid) to give addition products in good yields (75-99%), including the pharmaceutical agents fenpiprane and prozapine. A general mechanism is proposed that invokes the formation of reactive, dicationic electrophiles and the direct observation of a diprotonated species is reported from low-temperature NMR experiments. This chemistry is also used to conveniently prepare functionalized polystyrene beads having pendant amine groups.