3-phenyl-1-(3,5-diphenyl-1H-pyrazol-1-yl)isoquinoline | 1243154-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 3-phenyl-1-(3,5-diphenyl-1H-pyrazol-1-yl)isoquinoline
• 英文别名: 1-(3,5-Diphenylpyrazol-1-yl)-3-phenylisoquinoline；1-(3,5-diphenylpyrazol-1-yl)-3-phenylisoquinoline
• CAS: 1243154-21-3
• 化学式: C₃₀H₂₁N₃
• 分子量: 423.517
• InChiKey: PFTLBCXITYTYAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  30.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3,5-二苯基吡唑 、 1-氯-3-苯基异喹啉 在 tris-(dibenzylideneacetone)dipalladium(0) 、 sodium carbonate 、 R-(+)-1,1'-联萘-2,2'-双二苯膦 作用下， 以 1,4-二氧六环 为溶剂， 反应 0.75h， 以82%的产率得到3-phenyl-1-(3,5-diphenyl-1H-pyrazol-1-yl)isoquinoline
  参考文献：
  名称：

  An effective BINAP and microwave accelerated palladium-catalyzed amination of 1-chloroisoquinolines in the synthesis of new 1,3-disubstituted isoquinolines

  摘要：

  A facile and microwave accelerated reaction of 1-chloro-3-(4-chlorophenyl)isoquinoline with various heterocyclic amines, catalyzed by Pd, in the presence of BINAP additive and sodium carbonate as the base, leads to the formation of 3-(4-chlorophenyl)-1-(1H-1,2,3-triazol-1-yl)isoquinoline, 3-(4-chlorophenyl)-1-(1H-imidazol-1-yl)isoquinoline and 3-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)isoquinoline via Buchwald protocol in good yields Similarly pyrazolylisoquinolines ale also reported (c) 2010 Elsevier Ltd. All rights reserved

  DOI：

  10.1016/j.tetlet.2010.06.045

文献信息

• An effective BINAP and microwave accelerated palladium-catalyzed amination of 1-chloroisoquinolines in the synthesis of new 1,3-disubstituted isoquinolines
  作者：K. Prabakaran、P. Manivel、F. Nawaz Khan

  DOI：10.1016/j.tetlet.2010.06.045

  日期：2010.8

  A facile and microwave accelerated reaction of 1-chloro-3-(4-chlorophenyl)isoquinoline with various heterocyclic amines, catalyzed by Pd, in the presence of BINAP additive and sodium carbonate as the base, leads to the formation of 3-(4-chlorophenyl)-1-(1H-1,2,3-triazol-1-yl)isoquinoline, 3-(4-chlorophenyl)-1-(1H-imidazol-1-yl)isoquinoline and 3-(4-chlorophenyl)-1-(1H-1,2,4-triazol-1-yl)isoquinoline via Buchwald protocol in good yields Similarly pyrazolylisoquinolines ale also reported (c) 2010 Elsevier Ltd. All rights reserved