chloropalladium(1+);dichloropalladium;[5-(diphenylphosphanylmethyl)-4H-pyridin-4-id-3-yl]methyl-diphenylphosphane | 174229-29-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: chloropalladium(1+);dichloropalladium;[5-(diphenylphosphanylmethyl)-4H-pyridin-4-id-3-yl]methyl-diphenylphosphane
• CAS: 174229-29-9
• 化学式: C₆₂H₅₂Cl₄N₂P₄Pd₃
• 分子量: 1410.08
• InChiKey: QPPDTUJJECFZKT-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  15.05
• 重原子数：
  75
• 可旋转键数：
  16
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  24.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3,5-bis((diphenylphosphino)methyl)pyridine 在 Et₃N 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 三乙胺 、 甲苯 为溶剂， 生成 chloropalladium(1+);dichloropalladium;[5-(diphenylphosphanylmethyl)-4H-pyridin-4-id-3-yl]methyl-diphenylphosphane
  参考文献：
  名称：

  Rhodium and Palladium Complexes of a 3,5-Lutidine-Based Phosphine Ligand

  摘要：

  The chelating bis(phosphine) 3,5-bis((diphenylphosphino)methyl)pyridine (dppLH, 9) was synthesized from 3,5-lutidine by radical chlorination, followed by reaction with LiPPh(2). Compound 9 was used to prepare Ph and Pd complexes. The three complexes (dppL)RhL (L = (PPr3)-Pr-r (11), PPh(3) (12), and CO (13)) are obtained from Rh-2-Cl-2(COE)(4) (COE = cyclooctene) and HRh(PPh(3))(4). Compound 9 reacts with (PhCN)(2)PdCl2 to form the Pd(II) complex (dppL)PdCl (14). All complexes are fully characterized. The X-ray crystal structure of 11 has been determined. It crystallizes in the triclinic space group (No. 2) with a = 12.242(3) Angstrom, b = 14.384(3) Angstrom, c = 11.653(2) Angstrom, alpha = 98.61(2)degrees, beta = 96.88(2)degrees, gamma = 106.38(2)degrees, V = 2023.3(8) Angstrom(3), Z = 2, R = 0.045, and R(W) = 0.052. The Rh(I) center is in a square-planar coordination environment with the two phosphines of the dppL Ligand framework being trans to each other. The pyridine nitrogen is unobstructed and available for binding to other metal centers. Compound 14 acts as a metalloligand toward Pd(II) centers to form the trinuclear complex {(dppL)PdCl}2PdCl2 (16). N-coordination of a metal moiety and of a Lewis acid influences the electronic properties on the Pd center.

  DOI：

  10.1021/ic951131h