(bis(diphenylphosphino)amine-P,P')-bis(triphenylphosphine)copper(I)hexafluorophosphate | 139099-68-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (bis(diphenylphosphino)amine-P,P')-bis(triphenylphosphine)copper(I)hexafluorophosphate
• CAS: 139099-68-6
• 化学式: C₆₀H₅₁CuNP₄*F₆P
• 分子量: 1118.48
• InChiKey: PQTMFJXBZMCSHS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  14.94
• 重原子数：
  73.0
• 可旋转键数：
  12.0
• 环数：
  11.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.03
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  (bis(diphenylphosphino)amine-P,P')-bis(triphenylphosphine)copper(I)hexafluorophosphate 在 KCN 、 CH₃OH 作用下， 以 甲醇 为溶剂， 以54.7%的产率得到cyano(bis(diphenylphosphino)amine)(triphenylphosphine)copper(I)*methanol(1:1)
  参考文献：
  名称：

  Chemie polyfunktioneller moleküle

  摘要：

  Reaction of [Cu(dppa)(PPh3)2]+PF6- (2b) (dppa = Ph2P-NH-PPh2, Ph = C6H5) in methanol with KCN yields [Cu(CN)(dppa)PPh3].CH3OH (3). No substitution of PPh3 by CO would have been observed under similar conditions. Compound 3 has been characterized by IR, Raman, P-31{H-1} NMR, H-1 NMR, C-13{H-1} NMR and FD mass spectroscopy as well as by X-ray analyses. The copper atoms in 3 are coordinated tetrahedrally by PPh3, CN and the chelating dppa ligand building up a highly strained four-membered ring Cu(1)P(1)N(2)P(2). Molecules of [Cu(CN)(dppa)PPh3] are connected together by[GRAPHICS]hydrogen bridging bonds forming chains along the crystallographic axis b.The colourless longish prisms of 3 crystallize in the triclinic space group P1BAR, with the lattice constants a = 1021.4(2), b = 1050.7(1), c = 2063.9(6) pm; alpha = 91.50(2), beta = 98.73(2), gamma = 114.29(1)-degrees.

  DOI：

  10.1016/0022-328x(92)83108-t
• 作为产物：
  描述：

  N,N-双(二苯磷)胺 、 bis(triphenylphosphane)copper(I) nitrate 以 甲醇 、 丙酮 为溶剂， 生成 (bis(diphenylphosphino)amine-P,P')-bis(triphenylphosphine)copper(I)hexafluorophosphate
  参考文献：
  名称：

  Ellermann, Jochen; Knoch, Falk A.; Meier, Klaus J., Zeitschrift fur Naturforschung, B: Chemical Sciences, 1991, vol. 46, # 12, p. 1699 - 1705

  摘要：

  DOI：