4-(1-(diphenylmethyleneamino)-2-(4-(trifluoromethyl)phenyl)ethyl)benzonitrile | 1204177-31-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-(1-(diphenylmethyleneamino)-2-(4-(trifluoromethyl)phenyl)ethyl)benzonitrile
• 英文别名: 4-[1-(Benzhydrylideneamino)-2-[4-(trifluoromethyl)phenyl]ethyl]benzonitrile
• CAS: 1204177-31-0
• 化学式: C₂₉H₂₁F₃N₂
• 分子量: 454.494
• InChiKey: PUHMFJKMQSELAF-UHFFFAOYSA-N

物化性质

• 熔点：
  144-146 °C
• 沸点：
  534.7±50.0 °C(Predicted)
• 密度：
  1.13±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  7.6
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  36.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(trifluoromethyl)benzyl 2-(4-cyanobenzylideneamino)-2,2-diphenylacetate 、 palladium diacetate 在 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 N,N-二甲基乙酰胺 为溶剂， 反应 0.25h， 以78%的产率得到4-(1-(diphenylmethyleneamino)-2-(4-(trifluoromethyl)phenyl)ethyl)benzonitrile
  参考文献：
  名称：

  Palladium-Catalyzed Decarboxylative Benzylation of Diphenylglycinate Imines

  摘要：

  General reaction conditions for the Pd-catalyzed decarboxylative benzylation of benzyl diphenylglycinate Imines are described. The overall procedure requires a simple catalyst/ligand combination to form a new CSp(3)-CSp(3) bond. Microwave irradiation greatly accelerated the transformation. Moreover, various heteroaromatic moieties are tolerated in both the imine and ester components.

  DOI：

  10.1021/ol902651j

文献信息

• Palladium-Catalyzed Decarboxylative Benzylation of Diphenylglycinate Imines
  作者：Wendy H. Fields、Jason J. Chruma

  DOI：10.1021/ol902651j

  日期：2010.1.15

  General reaction conditions for the Pd-catalyzed decarboxylative benzylation of benzyl diphenylglycinate Imines are described. The overall procedure requires a simple catalyst/ligand combination to form a new CSp(3)-CSp(3) bond. Microwave irradiation greatly accelerated the transformation. Moreover, various heteroaromatic moieties are tolerated in both the imine and ester components.