trans-PdCl2(tris(cyanoethyl)phosphine)2 | 204461-54-1

• 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: trans-PdCl2(tris(cyanoethyl)phosphine)2
• 英文别名: 3-[bis(2-cyanoethyl)phosphanyl]propanenitrile;palladium(2+);dichloride
• CAS: 204461-54-1；68494-75-7
• 化学式: C₁₈H₂₄Cl₂N₆P₂Pd
• 分子量: 563.702
• InChiKey: YVCVPDKJHJRCRS-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  143
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  trans-PdCl2(tris(cyanoethyl)phosphine)2 、 lithium bromide 以 二氯甲烷 、 丙酮 为溶剂， 以82%的产率得到trans-PdBr2(tris(cyanoethyl)phosphine)2
  参考文献：
  名称：

  铂（0，II），钯（0，II），铱（I）和铑（I）的新型三（氰基乙基）膦配合物的合成和性能。：三（氰基乙基）膦配体的构象分析1

  摘要：

  三（氰乙基）膦（TCEP）络合物的反式- [氯铂酸2（TCEP）2 ]，顺式- [PTME 2（TCEP）2 ]，和反式- [PtMeCl（TCEP）2 ]通过处理相应的制备PtXY（cod）]（cod = 1,5-环辛二烯）与tcep。用NaBH 4还原反式-[PtCl 2（tcep）2 ]得到反式-[PtHCl（tcep）2 ]，在tcep和NEt 3存在下，得到配位不饱和的铂（0）络合物[Pt（tcep）3]。当[Pt（降冰片烯）3 ]与tcep反应时，也会形成这种配位不饱和物质。与它的PEt 3类似物相比，[Pt（tcep）3 ]非常不活泼：它是空气稳定的，不会与其他tcep反应形成18电子物种。它由HBF 4 ·OEt 2质子化形成[PtH（tcep）3 ] BF 4。复杂的反式- [的PdCl 2（TCEP）2 ]由[的PdCl制成2（NCPH）2 ]和TCEP和衍生物的反式-

  DOI：

  10.1016/s0022-328x(97)00541-x
• 作为产物：
  描述：

  三(2-氰乙基)膦 、 palladium dichloride 以 二甲基亚砜 为溶剂， 生成 trans-PdCl2(tris(cyanoethyl)phosphine)2
  参考文献：
  名称：

  氟化物诱导的钯（II）和铂（II）膦配合物的还原

  摘要：

  A novel redox reaction involving fluoride and phosphine complexes of palladium(II) is reported. The scope of this reaction has been investigated using the ligands PPh3, Ph2P(CH2)nPPh2 (n = 1-4), Ph2PCH2C(CH3)2CH2PPh2, Ph2PCH3, and P(CH2CH2CN)3; several solvents including DMSO, pyridine, acetonitrile, and THF; and either n-Bu4NF.3H2O or KF/18-crown-6 as the fluoride source. The reduction products are palladium(0) phosphine complexes for which this reaction offers a convenient synthetic route. P-31 and F-19 NMR spectra permitted identification of the initial oxidation products as difluorophosphoranes (R3PF2), which subsequently hydrolyzed, forming phosphine oxides if a hydrated fluoride source is used. Results implicating a fluoride-induced redox reaction in the thermal decomposition of [(Ph3P)3PdCl]BF4 to yield [Pd3Cl(PPh2)2(PPh3)3] BF4 are also presented. Preliminary results indicate that platinum complexes also undergo this reaction, but nickel complexes yield NiF2. The X-ray parameters for Pd(dppp)2 (dppp = 1,3-bis(diphenyphosphino)propane) are: monoclinic, space group C2/c (No. 15), a = 18.396 (2) angstrom, b = 13.290 (1) angstrom, c = 20.186 (2) angstrom, beta = 109.383 (5)-degrees, and Z = 4.

  DOI：

  10.1021/om00042a040

文献信息

• Synthesis and properties of new tris(cyanoethyl)phosphine complexes of platinum (0,II), palladium (0,II), iridium (I) and rhodium (I).
  作者：A.Guy Orpen、Paul G. Pringle、Martin B. Smith、Kerry Worboys

  DOI：10.1016/s0022-328x(97)00541-x

  日期：1998.1

  unreactive compared to its PEt3 analogue: it is air-stable and does not react with further tcep to form an 18-electron species. It is protonated by HBF4·OEt2 to form [PtH(tcep)3]BF4. The complex trans-[PdCl2(tcep)2] is made from [PdCl2(NCPh)2] and tcep and the derivatives trans-[PdX2(tcep)2] (X=Br or I) are made by metathesis of the dichloro complex. Reduction of trans-[PdCl2(tcep)2] with LiOMe in the

  三（氰乙基）膦（TCEP）络合物的反式- [氯铂酸2（TCEP）2 ]，顺式- [PTME 2（TCEP）2 ]，和反式- [PtMeCl（TCEP）2 ]通过处理相应的制备PtXY（cod）]（cod = 1,5-环辛二烯）与tcep。用NaBH 4还原反式-[PtCl 2（tcep）2 ]得到反式-[PtHCl（tcep）2 ]，在tcep和NEt 3存在下，得到配位不饱和的铂（0）络合物[Pt（tcep）3]。当[Pt（降冰片烯）3 ]与tcep反应时，也会形成这种配位不饱和物质。与它的PEt 3类似物相比，[Pt（tcep）3 ]非常不活泼：它是空气稳定的，不会与其他tcep反应形成18电子物种。它由HBF 4 ·OEt 2质子化形成[PtH（tcep）3 ] BF 4。复杂的反式- [的PdCl 2（TCEP）2 ]由[的PdCl制成2（NCPH）2 ]和TCEP和衍生物的反式-
• Fluoride-induced reduction of palladium(II) and platinum(II) phosphine complexes
  作者：M. R. Mason、J. G. Verkade

  DOI：10.1021/om00042a040

  日期：1992.6

  A novel redox reaction involving fluoride and phosphine complexes of palladium(II) is reported. The scope of this reaction has been investigated using the ligands PPh3, Ph2P(CH2)nPPh2 (n = 1-4), Ph2PCH2C(CH3)2CH2PPh2, Ph2PCH3, and P(CH2CH2CN)3; several solvents including DMSO, pyridine, acetonitrile, and THF; and either n-Bu4NF.3H2O or KF/18-crown-6 as the fluoride source. The reduction products are palladium(0) phosphine complexes for which this reaction offers a convenient synthetic route. P-31 and F-19 NMR spectra permitted identification of the initial oxidation products as difluorophosphoranes (R3PF2), which subsequently hydrolyzed, forming phosphine oxides if a hydrated fluoride source is used. Results implicating a fluoride-induced redox reaction in the thermal decomposition of [(Ph3P)3PdCl]BF4 to yield [Pd3Cl(PPh2)2(PPh3)3] BF4 are also presented. Preliminary results indicate that platinum complexes also undergo this reaction, but nickel complexes yield NiF2. The X-ray parameters for Pd(dppp)2 (dppp = 1,3-bis(diphenyphosphino)propane) are: monoclinic, space group C2/c (No. 15), a = 18.396 (2) angstrom, b = 13.290 (1) angstrom, c = 20.186 (2) angstrom, beta = 109.383 (5)-degrees, and Z = 4.