1,3-bis(3,5-diphenylpyrazolyl-1-carbonyl)benzene | 1018449-50-7

• 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: 1,3-bis(3,5-diphenylpyrazolyl-1-carbonyl)benzene
• 英文别名: 1,3-(3,5-Ph2pzCO)2C6H4；[3-(3,5-Diphenylpyrazole-1-carbonyl)phenyl]-(3,5-diphenylpyrazol-1-yl)methanone
• CAS: 1018449-50-7
• 化学式: C₃₈H₂₆N₄O₂
• 分子量: 570.65
• InChiKey: DGWQMQTVGDFLFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.3
• 重原子数：
  44
• 可旋转键数：
  6
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  69.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  双(乙腈)氯化钯(II) 、 1,3-bis(3,5-diphenylpyrazolyl-1-carbonyl)benzene 以 二氯甲烷 为溶剂， 以63%的产率得到di-μ-chloro-dichloro(1,3-bis(3,5-diphenylpyrazolyl-1-carbonyl)benzene)palladium(II)
  参考文献：
  名称：

  Bis(pyrazole)- and bis(pyrazolyl)-palladium complexes as phenylacetylene polymerization catalysts

  摘要：

  Two types of pyrazole-based palladium complexes were used to catalyze the polymerization of phenylacetylene. Catalysts with electron-withdrawing linkers, [{1,3-(3,5-R(2)pzCO)(2)C6H4}Pd2Cl2(mu-Cl)(2)] (R = 'Bu (1), Ph (2), Me (3), [{2,6-(3,5-R(2)pzCO)(2)C5H3N)}PdCl2] (R = 'Bu (4), Me (5)), show high conversion; whilst those with simple pyrazole ligands, [(3,5-R(2)pz)(2)PdCl2)] (R = H (6), Me (7), 'Bu (8)), [(3,5-'Bu(2)pz)(2)PdCl(Me)] (9), have much lower conversions. Conversion greatly improved when 9 was used to catalyze the co-polymerization of sulfur dioxide and phenylacetylene. Both types of catalysts produce predominantly trans-cisoidal polyphenylacetylene. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.11.033