cis-[{PdCl2}2{tBuNP(OCH2CH2SCH3)}2] | 1313049-11-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 磷环化合物
• 英文名称: cis-[{PdCl2}2{tBuNP(OCH2CH2SCH3)}2]
• 英文别名: cis-[{PdCl2}2{^tBuNP(OCH2CH2SCH3)}2]；cis-[dipalladium(II)tetrachloride(tBuNP(OC2H4SCH3))2]
• CAS: 1313049-11-4
• 化学式: C₁₄H₃₂Cl₄N₂O₂P₂Pd₂S₂
• 分子量: 741.152
• InChiKey: LOFVXAWIMKICFJ-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  8.17
• 重原子数：
  28.0
• 可旋转键数：
  0.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.94
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  cis-(tBuNPOC2H4SCH3)2 、 dichloro(cycloocta-1,5-diene)palladium (II) 以 二氯甲烷 为溶剂， 以78%的产率得到cis-[{PdCl2}2{tBuNP(OCH2CH2SCH3)}2]
  参考文献：
  名称：

  Cyclodiphosphazane appended with thioether functionality: Synthesis, transition metal chemistry and catalytic application in Suzuki–Miyaura cross-coupling reactions

  摘要：

  The coordination chemistry of thioether functionalized cyclodiphosphazane ligand, cis-{(BuN)-Bu-t-P(OCH2CH2SCH3)}(2) (1) is described. The reactions of 1 with [Pd (COD) Cl-2] in 1:1, 1:2 and 2:1 M ratios afforded cis-[PdCl2{tBuNP(OCH2CH2SCH3)}(2)] (2), cis-[{PdCl2}(2){(t)uNP(OCH2CH2SCH3)}(2)] (3) and trans-[ PdCl2{((BuNP)-Bu-t(OCH2CH2SCH3))(2)}(2)] (4), respectively. Treatment of 1 with [Pd(PEt3) Cl-2](2) or [PdCl-(eta(3)-C3H5)](2) in appropriate molar ratios produce the mono-and binuclear complexes [PdCl2(PEt3{(BuN)-Bu-t-P( OCH2CH2SCH3)}(2)] (5) and [{PdCl(eta(3)-C3H5)}(2){(BuNP)-Bu-t(OCH2CH2SCH3)}(2)] (6) in good yield. The reaction of 1 with [{Ru(p-cymene) Cl-2}(2)] afforded the mononuclear cationic complex, [{(p-cymene) RuCl{(BuN)-Bu-t-P( OCH2CH2SCH3)}(2)] Cl (7), whereas the reactions of [Rh(COD) Cl](2), [Pt(COD) Cl2] and [Au(SMe2) Cl] with 1 yielded the corresponding P-coordinated neutral complexes, [RhCl(COD){(BuNP)-Bu-t(OCH2CH2SCH3)}(2)] (8) cis-[PtCl2{tBuNP(OCH2CH2SCH3)} 2] (9), respectively. The binuclear palladium(II) complex 3 was found to be an effective catalyst for the Suzuki-Miyaura cross-coupling reactions. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.006
• 作为试剂：
  描述：

  2,4-二甲氧基溴苯 、 苯硼酸 在 cis-[{PdCl2}2{tBuNP(OCH2CH2SCH3)}2] 、 potassium carbonate 作用下， 以 甲醇 为溶剂， 反应 18.0h， 生成 2,4-dimethoxy-biphenyl
  参考文献：
  名称：

  Cyclodiphosphazane appended with thioether functionality: Synthesis, transition metal chemistry and catalytic application in Suzuki–Miyaura cross-coupling reactions

  摘要：

  The coordination chemistry of thioether functionalized cyclodiphosphazane ligand, cis-{(BuN)-Bu-t-P(OCH2CH2SCH3)}(2) (1) is described. The reactions of 1 with [Pd (COD) Cl-2] in 1:1, 1:2 and 2:1 M ratios afforded cis-[PdCl2{tBuNP(OCH2CH2SCH3)}(2)] (2), cis-[{PdCl2}(2){(t)uNP(OCH2CH2SCH3)}(2)] (3) and trans-[ PdCl2{((BuNP)-Bu-t(OCH2CH2SCH3))(2)}(2)] (4), respectively. Treatment of 1 with [Pd(PEt3) Cl-2](2) or [PdCl-(eta(3)-C3H5)](2) in appropriate molar ratios produce the mono-and binuclear complexes [PdCl2(PEt3{(BuN)-Bu-t-P( OCH2CH2SCH3)}(2)] (5) and [{PdCl(eta(3)-C3H5)}(2){(BuNP)-Bu-t(OCH2CH2SCH3)}(2)] (6) in good yield. The reaction of 1 with [{Ru(p-cymene) Cl-2}(2)] afforded the mononuclear cationic complex, [{(p-cymene) RuCl{(BuN)-Bu-t-P( OCH2CH2SCH3)}(2)] Cl (7), whereas the reactions of [Rh(COD) Cl](2), [Pt(COD) Cl2] and [Au(SMe2) Cl] with 1 yielded the corresponding P-coordinated neutral complexes, [RhCl(COD){(BuNP)-Bu-t(OCH2CH2SCH3)}(2)] (8) cis-[PtCl2{tBuNP(OCH2CH2SCH3)} 2] (9), respectively. The binuclear palladium(II) complex 3 was found to be an effective catalyst for the Suzuki-Miyaura cross-coupling reactions. (C) 2011 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.02.006