trans-[PdCl2(P(p-tolyl)3)2] | 60802-43-9

• 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: trans-[PdCl2(P(p-tolyl)3)2]
• 英文别名: trans-[PdCl2(tri-para-tolylphosphine)2]；trans-[Pd(PTol3)2Cl2]；trans-[PdCl2(P(C6H4-4-Me)3)2]；dichloropalladium;tris(4-methylphenyl)phosphane
• CAS: 60802-43-9
• 化学式: C₄₂H₄₂Cl₂P₂Pd
• 分子量: 786.069
• InChiKey: GJJZIECSSBVRLV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  10.12
• 重原子数：
  47
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  trans-[PdCl2(P(p-tolyl)3)2] 、 bis(phenyl-2-thiol)phenylphosphine 在 NEt₃ 作用下， 以 二氯甲烷 为溶剂， 以90%的产率得到bis[(2-phenylthiolato)phenylphosphino-S,S',P]-tris(4-methylphenyl)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

文献信息

• Invisible Chelating Effect Exhibited between Carbodicarbene and Phosphine through π–π Interaction and Implication in the Cross-Coupling Reaction
  作者：Wei-Chih Shih、Yun-Ting Chiang、Qing Wang、Ming-Chun Wu、Glenn P. A. Yap、Lili Zhao、Tiow-Gan Ong

  DOI：10.1021/acs.organomet.7b00692

  日期：2017.11.13

  Palladium complexes supported with the mixed ligands carbodicarbene (CDC) and different phosphine ligands (PPh3, PTol3, and PCy3) were prepared, and their molecular structures were characterized. Examination of the structures of 2-PPh3 and 2-PTol3 with cis configuration discloses the existence of an unexpected π–π interaction between one phenyl group of the phosphine and the benzimidazole ring of a

  制备了由混合配体碳二碳烯（CDC）和不同的膦配体（PPh 3，PTol 3和PCy 3）负载的钯配合物，并对其分子结构进行了表征。对具有顺式构型的2-PPh 3和2-PTol 3的结构的研究揭示了膦的一个苯基与CDC的苯并咪唑环之间存在意想不到的π-π相互作用。钯配合物2-PPh 3是一种活性的铃木-宫浦催化剂，具有广泛的底物，包含各种官能团和空间要求。与吸电子芳基溴相反，通过在需氧条件下添加催化量的DMSO，可以提高富电子底物的产品收率。溶液NMR和结构分析表明，CDC和膦配体之间的分子内π-π相互作用对反应的活性具有积极影响，这进一步得到了量子化学计算的支持。
• Selective cleavage of the two types of Pd–N bonds in di-µ-halogeno-bis[arylazo-oximatopalladium(<scp>II</scp>)]
  作者：Pradip K. Mascharak、Animesh Chakravorty

  DOI：10.1039/dt9800001698

  日期：——

  equilibrium constants are reported. Bidentate phosphine and phosphinoarsine simultaneously split the bridge and cleave the Pd–N(azo) bond. Anhydrous HCI gas protonates the oximato-group with its concomitant displacement by Cl– ion; in effect the Pd–N(oxime) bond is selectively cleaved.

  三芳基膦分裂了标题络合物的卤素桥，并且还在偶氮端打开了芳基偶氮-肟基螯合环。在溶液中，在闭环和开环物质之间存在平衡。报告了平衡常数。双齿膦和膦砷化氢同时分裂了桥并裂解了Pd-N（偶氮）键。无水HCl气体质子化肟基的基团与由氯其伴随的位移-离子; 实际上，Pd–N（肟）键被选择性裂解。
• Organometallic Platinum(II) and Palladium(II) Polymers Containing 2,6-Diethynyl-4-nitroaniline Bridging Spacer and Related Dinuclear Model Complexes
  作者：Rosaria D'Amato、Ilaria Fratoddi、Alberto Cappotto、Patrizia Altamura、Maurizio Delfini、Cristiano Bianchetti、Adriana Bolasco、Giovanni Polzonetti、Maria V. Russo

  DOI：10.1021/om049972w

  日期：2004.6.1

  dehydrohalogenation conditions between Pt(II) or Pd(II) square planar bisphosphine dichloride complexes and 2,6-diethynyl-4-nitroaniline (DENA) yielded organometallic polymers, i.e., −[M(PTol3)2(−C⋮C−R−C⋮C−)]n− with R = p-NH2C6H2NO2 and M = Pt(II) or Pd(II). Dinuclear platinum complexes were also synthesized as geometrical models. The polymers and complexes were fully characterized by means of spectroscopic

  在PT（II）或Pd（II）方形平面双膦二氯化物络合物与2,6-二乙炔基-4-硝基苯胺（DENA）之间的脱卤化氢条件下，金属-碳偶联生成有机金属聚合物，即-[M（PTol 3）2（-C⋮C-R-C⋮C-）] n-且R = p-NH 2 C 6 H 2 NO 2并且M ＝ PT（II）或Pd（II）。双核铂配合物也被合成为几何模型。借助于光谱技术充分表征了聚合物和配合物。使用2D核磁共振（NMR）光谱进行精确研究，将聚合物链的化学和空间结构定义为基于PT（II）和Pd（II）的有机金属聚合物的螺旋构象。光学吸收研究和X射线光电子能谱测量显示了共轭程度和端基的性质。
• Starzewski, Karl H. A. Ostoja; Pregosin, Paul S.; Rueegger, Heinz, Helvetica Chimica Acta, 1982, vol. 65, p. 785 - 797
  作者：Starzewski, Karl H. A. Ostoja、Pregosin, Paul S.、Rueegger, Heinz

  DOI：——

  日期：——
• Reactions of metallodithiolate ligand with palladium dichloride bearing monophosphine or diphosphine
  作者：Yu-Dong Sheng、Xiao-Yong Yu、Xu-Feng Liu

  DOI：10.1016/j.poly.2017.06.027

  日期：2017.9

  Reaction of metallodithiolate ligand Ni(bme-dach*) [bme-dach*=N,N'-bis(mercaptoethyl)-1,4-diazacyclohexane] with Pd[P(4-C6H4CH3)(3)](2)Cl-2 in the presence of NH4PF6 yielded a heterobimetallic complex Ni(bme-dach*)Pd[P(4-C6H4CH3)(3)](2))}[PF6](2) (1) in 43% yield. However, reaction of Ni(bme-dach*) with Pd(dppm)Cl-2 [dppm = 1,1-bis(diphenylphosphino)methane] resulted in the formation of a mononuclear Pd complex [Pd(dppm)(2)][PF6](2) (2) via dissociation between Pd-P bonds. Moreover, reaction of Ni(bme-dach*) with Pd(dppv)Cl-2 [dppv = cis-1,2-bis(diphenylphosphino)ethylene] in the presence of NH4PF6 afforded an expected product [Ni(bme-dach*)Pd(dppv)]}[PF6](2) (3) in 80% yield as well as an unexpected product Ni(bme-dach*)[Pd(dppv)Cl](2)}[PF6](2) (4) as a byproduct. The new complexes 1 and 3 were characterized by elemental analysis, H-1 NMR and P-31H-1) NMR spectroscopy. In addition, the structures of the complexes 1-4 were confirmed by single crystal X-ray diffraction analysis. (C) 2017 Elsevier Ltd. All rights reserved.