| 147930-72-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• CAS: 147930-72-1
• 化学式: BF₄*C₃₀H₃₆BrNNiP₃
• 分子量: 728.942
• InChiKey: CRPWKOAGEYFRKJ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  9.34
• 重原子数：
  41.0
• 可旋转键数：
  8.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  12.03
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  tetrafluoroboric acid 、 以 甲苯 为溶剂， 以75%的产率得到
  参考文献：
  名称：

  Synthesis and characterization of bis(diphenylphosphino)methanide and -amide complexes of Ni^IIand Pd^II. Crystal structure of [PdCl(Ph₂PNPPh₂)(PEt₃)]

  摘要：

  The reaction of Li[Ph2PYPPh2] (Y = CH or N) with [MX2L2] (M = Ni or Pd; X = Cl or Br; L = PPh3, PMe2Ph or PEt3) has been studied. With Y = CH only palladium derivatives [PdCl(Ph2PCHPPh2)L] were obtained; subsequent reaction with Grignard reagents, MgBr(R), gave [PdR(Ph2PCHPPh2)L] (R = mesityl or o-tolyl). With Y = N, nickel and palladium complexes, [MX(Ph2PNPPh2)(PEt3)], were obtained only with PEt3. The compounds [Pd(PhPNPPh2),] or [{Ni(mu-Cl)(Ph2PNPPh2)}2] were formed using PPh, or PMe2Ph instead of PEt3. Treatment of these complexes with HBF, yielded the corresponding cationic complexes containing the neutral chelate ligand. These complexes have been characterized by IR, H-1 and P-31 NMR spectroscopy. The complex [PdCl(Ph2PNPPh2)(PEt3)] crystallizes in the monoclinic space group C2/c, with a = 18.416(6), b = 11.702(4), c = 27.620(9) angstrom, beta = 93.50(4)degrees and Z = 8. The P-N bond distances 1.64-1.65 angstrom are consistent with delocalization of the negative charge in the anionic ligand. The P ... P distance, 2.440 angstrom, is close to a single P-P bond length.

  DOI：

  10.1039/dt9930000221