[Pd(CN)2(PEt3)2] | 15638-57-0

• 分子结构分类: 有机化合物 - 有机磷化合物 - 有机膦及其衍生物
• 英文名称: [Pd(CN)2(PEt3)2]
• 英文别名: trans-Dicyanobis(triethylphosphine)palladium；palladium(2+);triethylphosphane;dicyanide
• CAS: 15638-57-0
• 化学式: C₁₄H₃₀N₂P₂Pd
• 分子量: 394.773
• InChiKey: JOGWHLFNLFTXDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.25
• 重原子数：
  19
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  47.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  [PdCl(CCPh)(PEt3)2] 以 四氢呋喃 、 二氯甲烷 、 水 为溶剂， 生成 [Pd(CN)2(PEt3)2] 、 trans-[Pd(CCPh)(CN)(PEt3)2]
  参考文献：
  名称：

  Reactivity of alkynyl Pd(II) azido complexes toward organic isocyanides, isothiocyanates, and nitriles

  摘要：

  Alkynyl Pd(II) azido complexes of the type [Pd(N-3)(CdropC-R)L-2] (1-3) were obtained by reactions of aqueous NaN3 with [Pd(Cl)(CdropC-R)L-2] (R = Ph or C(O)OMe). Treating compounds 1-3 with organic isocyanides (R-NC) afforded novel complexes, trans-[Pd(CdropC-Ph)(N=C=N-R)(PMe3)(2)] (R = 2,6-Me2C6H3 (4) or 2,6-Et2C6H3 (5)) and trans-[Pd(CdropC-R)(CN4-t-Bu)L-2] (6: L = PMe3, R = Ph; 7: L = PEt3, R = C(O)OMe; 8: L = PMe3 R = C(O)OMe), which contain either a carbodiimido or a C-coordinated tetrazolato group. Reactions of compounds 1 and 2 with R-N=C=S (R = 2,6-Me2C6H3 or CH2CH3) and 1,4-phenylene diisothiocyanate (C6H4(N=C=S)(2)) smoothly proceeded to give tetrazole-thiolato complexes, trans-[Pd(CdropCPh)(SCN4-R)L-2] (L = PMe3, R = Et (9) or 2,6-Me2C6H3 (10); L = PEt3, R = 2,6-Me2C6H3 (11)), and a phenylene-bridged dinuclear Pd(II) tetrazole-thiolato complex, [(PEt3)(2)(CdropCPh)Pd(SCN4-(mu-C6H4)-SCN4)Pd(CdropCPh)(PEt3)(2)] (12), respectively. Complexes 9-12 contain the Pd-S bond that is formed by the dipolar cycloaddition of the organic isothiocyanate to the Pd-azido bond. In contrast, the vcorresponding reactions of compounds land 2 with C6F5CN and Me3SiCN (organic nitriles, R-CN) gave an N-coordinated Pd(II)-tetrazolato compound {trans-[Pd(CdropC-Ph)(N4C-C6F5)(PMe3)(2)] (13)} and a mixture of Pd(II)-cyano complexes {trans[Pd(CdropC-Ph)(CN)(PEt3)(2)] (14) and [Pd(CN)2(PEt3)21 (15), respectively. Bis(phosphine) bis(cyano) complexes of Pd and Ni, [M(CN)(2)L-2] (L = PEt3, PMe3; L-2 = DEPE), could be obtained independently by the reactions of [M(N-3)(2)L-2] with excess Me3SiCN in organic solvents. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.09.056

文献信息

• Reactivity of alkynyl Pd(II) azido complexes toward organic isocyanides, isothiocyanates, and nitriles
  作者：Yong-Joo Kim、Seung-Ha Lee、Sung-Hyun Lee、Sang Il Jeon、Mi S. Lim、Soon W. Lee

  DOI：10.1016/j.ica.2004.09.056

  日期：2005.2

  Alkynyl Pd(II) azido complexes of the type [Pd(N-3)(CdropC-R)L-2] (1-3) were obtained by reactions of aqueous NaN3 with [Pd(Cl)(CdropC-R)L-2] (R = Ph or C(O)OMe). Treating compounds 1-3 with organic isocyanides (R-NC) afforded novel complexes, trans-[Pd(CdropC-Ph)(N=C=N-R)(PMe3)(2)] (R = 2,6-Me2C6H3 (4) or 2,6-Et2C6H3 (5)) and trans-[Pd(CdropC-R)(CN4-t-Bu)L-2] (6: L = PMe3, R = Ph; 7: L = PEt3, R = C(O)OMe; 8: L = PMe3 R = C(O)OMe), which contain either a carbodiimido or a C-coordinated tetrazolato group. Reactions of compounds 1 and 2 with R-N=C=S (R = 2,6-Me2C6H3 or CH2CH3) and 1,4-phenylene diisothiocyanate (C6H4(N=C=S)(2)) smoothly proceeded to give tetrazole-thiolato complexes, trans-[Pd(CdropCPh)(SCN4-R)L-2] (L = PMe3, R = Et (9) or 2,6-Me2C6H3 (10); L = PEt3, R = 2,6-Me2C6H3 (11)), and a phenylene-bridged dinuclear Pd(II) tetrazole-thiolato complex, [(PEt3)(2)(CdropCPh)Pd(SCN4-(mu-C6H4)-SCN4)Pd(CdropCPh)(PEt3)(2)] (12), respectively. Complexes 9-12 contain the Pd-S bond that is formed by the dipolar cycloaddition of the organic isothiocyanate to the Pd-azido bond. In contrast, the vcorresponding reactions of compounds land 2 with C6F5CN and Me3SiCN (organic nitriles, R-CN) gave an N-coordinated Pd(II)-tetrazolato compound trans-[Pd(CdropC-Ph)(N4C-C6F5)(PMe3)(2)] (13)} and a mixture of Pd(II)-cyano complexes trans[Pd(CdropC-Ph)(CN)(PEt3)(2)] (14) and [Pd(CN)2(PEt3)21 (15), respectively. Bis(phosphine) bis(cyano) complexes of Pd and Ni, [M(CN)(2)L-2] (L = PEt3, PMe3; L-2 = DEPE), could be obtained independently by the reactions of [M(N-3)(2)L-2] with excess Me3SiCN in organic solvents. (C) 2004 Elsevier B.V. All rights reserved.