triphenylphosphine-N-(2-pyrimidyl)imine | 69982-01-0

• 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: triphenylphosphine-N-(2-pyrimidyl)imine
• 英文别名: -pyrimidin-2-yl-(triphenyl-λ⁵-phosphanylidene)-amine；2-[(Triphenyl-lambda~5~-phosphanylidene)amino]pyrimidine；triphenyl(pyrimidin-2-ylimino)-λ5-phosphane
• CAS: 69982-01-0
• 化学式: C₂₂H₁₈N₃P
• 分子量: 355.379
• InChiKey: GRBJERVIAWCIMA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  38.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  triphenylphosphine-N-(2-pyrimidyl)imine 、 对硝基苯甲醛 以63%的产率得到
  参考文献：
  名称：

  BOEDEKER J.; COURAULT K., J. PRAKT. CHEM., 1980, 322, NO 2 336-342

  摘要：

  DOI：
• 作为产物：
  描述：

  1,3,5-三嗪-2,4,6-三胺,N,N'''-1,2-乙二基二[N-[3-[[4,6-二[丁基(2,2,6,6-四甲基-4-哌啶基)氨基]-1,3,5-三嗪-2-基]氨基]丙基]-N,N''-二丁基-N,N''-二(2,2,6,6-四甲基-4-哌啶基)- 、 三苯基膦 、 四氯化碳 以61%的产率得到
  参考文献：
  名称：

  BOEDEKER J.; KOECKRITZ P., J. PRAKT. CHEM., 1978, 320, NO 6, 1043-1046

  摘要：

  DOI：

文献信息

• Boedeker, J.; Courault, K.; Koeckritz, A., Journal fur praktische Chemie (Leipzig 1954), 1983, vol. 325, # 3, p. 463 - 474
  作者：Boedeker, J.、Courault, K.、Koeckritz, A.、Koeckritz, P.

  DOI：——

  日期：——
• Boedeker, J.; Courault, K., Journal fur praktische Chemie (Leipzig 1954), 1980, vol. 322, # 2, p. 336 - 342
  作者：Boedeker, J.、Courault, K.

  DOI：——

  日期：——
• Boedeker, J.; Koeckritz, A.; Koeckritz, P., Journal fur praktische Chemie (Leipzig 1954), 1985, vol. 327, # 5, p. 723 - 730
  作者：Boedeker, J.、Koeckritz, A.、Koeckritz, P.、Radeglia, R.

  DOI：——

  日期：——
• BOEDEKER, J.;COURAULT, K.;KOECKRITZ, A.;KOECKRITZ, P., J. PRAKT. CHEM., 1983, 325, N 3, 463-474
  作者：BOEDEKER, J.、COURAULT, K.、KOECKRITZ, A.、KOECKRITZ, P.

  DOI：——

  日期：——
• Structural features of the copper(II) chloride-triphenylphosphine-N-(2-pyrimidyl)imine complex in crystal and solution
  作者：D. V. Tolkachev、R. U. Amanov、M. Yu. Antipin、A. A. Khodak、S. P. Solodovnikov、N. N. Bubnov、Yu. T. Struchkov、M. I. Kabachnik

  DOI：10.1007/bf00863920

  日期：1992.1

  The structure of the copper(II) chloride-triphenylphosphine-N-(2-pyrimidyl)-imine complex in crystal and solution was investigated by x-ray analysis and EPR. It was found that despite the difference in the structures of the dissolved and crystalline complexes, the exocyclic nitrogen atom is contained in the coordination sphere of the metal together with the nitrogen atom of the heterocycle in both cases due to the electronic effect of the phosphorus atom. In the crystal, the copper atom is coordinated with two chlorine atoms and two molecules of the ligand, and the distance from the copper cation to the nitrogen atoms of the pyrimidine rings is significantly less than the distance to the nitrogen atoms of the phosphinimine groups (2.0 and 2.8 angstrom respectively). The coordination polyhedron formed as a result is a strongly distorted axially asymmetric octahedron. In dissolution, the chlorine anions are substituted by molecules of the solvent, the complex acquires axial symmetry, and four nitrogen atoms from two ligands form a planar square with a copper(II) cation in the center.