trans-di(ortho-tolylethynyl)bis(dimethylphenylphosphine)palladium(II) | 1292360-09-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: trans-di(ortho-tolylethynyl)bis(dimethylphenylphosphine)palladium(II)
• 英文别名: trans-[Pd(CC-o-Tol)2(PMe2Ph)2]
• CAS: 1292360-09-8
• 化学式: C₃₄H₃₆P₂Pd
• 分子量: 613.027
• InChiKey: PWDMKZBJDFLPKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
  None
• 环数：
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• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  IPhCl2 、 trans-di(ortho-tolylethynyl)bis(dimethylphenylphosphine)palladium(II) 以 二氯甲烷-D2 为溶剂， 生成 trans-chloro(ortho-tolylethynyl)bis(dimethylphenylphosphine)palladium(II)
  参考文献：
  名称：

  Carbon–carbon and carbon–chlorine bond formation on reaction of iodine(III) reagents with the bis(alkynyl)palladium(II) motif, and structural chemistry of trans-Pd(C C-o-Tol)2(PMe2Ph)2] and trans-[PdCl(C C-o-Tol)(PMe2Ph)2]

  摘要：

  Trans-di(ortho-tolylethynyl)bis(dimethylphenylphosphine)palladium(II) reacts above -20 degrees C with the iodoniumreagent IPhCl2 to give predominantly o-Tol-C equivalent to C-Cl, above 15 degrees C with IPh2(OTf) (OTf=triflate) to give o-Tol-C C-Ph and (o-Tol-C C)(2) in ca. 3:1 ratio, and above 10 degrees C with IPh(C R)(OTf) (R = Bu-t, SiMe3) to give predominantly o-Tol-C C-C C-R and (o-Tol-C C)(2). P-31 NMR spectra provide evidence for detection of intermediates. The complexes trans-[Pd(C C-o-Tol)(2)(PMe2Ph)(2)] and trans-[PdCl (C C-o-Tol)(PMe2Ph)(2)] are obtained on reaction of trans-[PdCl2(PMe2Ph)(2)] with Li(C C-o-Tol) and o-Tol-C CH/Et3N, respectively, and have been characterised by X-ray crystallography. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.01.018
• 作为产物：
  描述：

  trans-dichlorobis(dimethylphenylphosphine)palladium(II) 、 LiCC-o-Tol 以 乙醚 为溶剂， 以78%的产率得到trans-di(ortho-tolylethynyl)bis(dimethylphenylphosphine)palladium(II)
  参考文献：
  名称：

  Carbon–carbon and carbon–chlorine bond formation on reaction of iodine(III) reagents with the bis(alkynyl)palladium(II) motif, and structural chemistry of trans-Pd(C C-o-Tol)2(PMe2Ph)2] and trans-[PdCl(C C-o-Tol)(PMe2Ph)2]

  摘要：

  Trans-di(ortho-tolylethynyl)bis(dimethylphenylphosphine)palladium(II) reacts above -20 degrees C with the iodoniumreagent IPhCl2 to give predominantly o-Tol-C equivalent to C-Cl, above 15 degrees C with IPh2(OTf) (OTf=triflate) to give o-Tol-C C-Ph and (o-Tol-C C)(2) in ca. 3:1 ratio, and above 10 degrees C with IPh(C R)(OTf) (R = Bu-t, SiMe3) to give predominantly o-Tol-C C-C C-R and (o-Tol-C C)(2). P-31 NMR spectra provide evidence for detection of intermediates. The complexes trans-[Pd(C C-o-Tol)(2)(PMe2Ph)(2)] and trans-[PdCl (C C-o-Tol)(PMe2Ph)(2)] are obtained on reaction of trans-[PdCl2(PMe2Ph)(2)] with Li(C C-o-Tol) and o-Tol-C CH/Et3N, respectively, and have been characterised by X-ray crystallography. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2011.01.018