bis[(2-phenylthiolato)phenylphosphino-S,S',P]-tris(4-chlorophenyl)phosphine-palladium(II) | 937168-32-6

• 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: bis[(2-phenylthiolato)phenylphosphino-S,S',P]-tris(4-chlorophenyl)phosphine-palladium(II)
• 英文别名: [Pd(phPS2)(P(C6H4-4-Cl)3)]
• CAS: 937168-32-6
• 化学式: C₃₆H₂₅Cl₃P₂PdS₂
• 分子量: 796.453
• InChiKey: DAUCCBBTEZALNG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  8.66
• 重原子数：
  44.0
• 可旋转键数：
  5.0
• 环数：
  8.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  0.0
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  trans-[PdCl2(P(C6H4-4-Cl)3)2] 、 bis(phenyl-2-thiol)phenylphosphine 在 NEt₃ 作用下， 以 二氯甲烷 为溶剂， 以81%的产率得到bis[(2-phenylthiolato)phenylphosphino-S,S',P]-tris(4-chlorophenyl)phosphine-palladium(II)
  参考文献：
  名称：

  Synthesis, characterization and catalytic evaluation in the Heck coupling reactions of S–P–S pincer complexes of the type [Pd{PhP(C6H4-2-S)2}(PAr3)]

  摘要：

  A series of palladium complexes of the type [Pd(phPS(2))(PAr3)] (phPS(2)) = [PhP(C6H4-2-S)(2)](2-) have been synthesized in good yields and their crystal structures determined. Heck coupling reactions were carried out using the [Pd(phPS(2))(PPh3)] (1), [Pd(phPS(2)){P(C6H4-4-Cl)(3)}] (2), [Pd(phPS(2)) {P(C6H4-4-F)(3)}] (3), [Pd(phPS(2)) {P(C6H4-4-CF3)(3)}] (4), [Pd(phPS(2)){P(C6H4-4-Me)(3)}] (5) and [Pd(phPS(2)) {P(C6H4-4-OMe)(3)}] (6) complexes as catalyst precursors in order to examine the potential effect of the para-substituted triarylphosphines in the reaction of bromobenzene and styrene. (c) 2006 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2006.10.029