trans-[PdCl2(P(C6H4-4-Cl)3)2] | 57457-62-2

• 英文名称: trans-[PdCl2(P(C6H4-4-Cl)3)2]
• CAS: 57457-62-2
• 化学式: C₃₆H₂₄Cl₈P₂Pd
• 分子量: 908.578
• InChiKey: MOLDRLLIDIAQEZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  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
• 作为产物：
  描述：

  Di-<2-chlorphenyl>-phenylphosphin 以 氘代氯仿 、 二氯甲烷 为溶剂， 生成 trans-[PdCl2(P(C6H4-4-Cl)3)2]
  参考文献：
  名称：

  Transition metal complexes containing P(C6H5)(C6H4Cl-2)2. The effect of added Lewis bases as a probe for substitution reactions occurring in ambient temperature Suzuki couplings catalyzed by Pd/P(C6H5)(C6H4Cl-2)2

  摘要：

  The reactivity of the d(8) transition metal complexes, [NiBr2(CH3OCH2CH2OCH3)] and MCl2L2 (M = Pd, Pt; L = CH3CN; L-2 = 1,5-cyclooctadiene), towards P(C6H5)(C6H4Cl-2)(2) (1) was investigated. While treatment of [PdCl2(cod)] with 2 equiv of 1 resulted in displacement of the weakly coordinating cyclooctadiene and formation of [PdCl2(P(C6H5)(C6H4Cl-2)(2))(2)], analogous reactions with [PtCl2(cod)] afforded the monosubstituted species [PtCl2(cod)(P(C6H5)(C6H4Cl-2)(2))]. The disubstituted complex [PtCl2(P(C6H5)(C6H4Cl-2)(2))(2)] was successfully obtained by treatment of [PtCl2(NCCH3)(2)] with 2 equiv of 1. However, attempts to react I with [NiBr2(CH3OCH2CH2OCH3)] were unsuccessful. The chlorinated triphenyl phosphine is quite labile and is readily displaced from [PdCl2(P(C6H5)(C6H4Cl-2)(2))(2)] by various Lewis bases including nitrogen containing ligands such as 2,2-bipyridine. The molecular structure of trans-[PdCl2(P(C6H5)(C6H4Cl-2)(2))(2)] was determined by X-ray diffraction and represents the first molecular structure determination of a transition metal complex containing 1. This complex crystallizes in the monoclinic space group P2(1)/n with a = 10.3928(3) Angstrom, b = 16.0102(4) Angstrom, c = 13.1884(4) Angstrom, beta = 90.714(2)degrees, and Z = 4. Key geometric parameters include Pd-Cl(1) = 2.309(1) Angstrom, Pd-P(1) = 2.334(1) Angstrom,- Pd-P(1)-C(7) = 118.3(2)degrees, Pd-P(1)-C(1) = 115.3(2)degrees, C(1)-C(6)-Cl(2) = 120.7(4)degrees and Cl(1)-Pd-P(1) = 85.86(4)degrees. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01141-6