N,N'-tetraethyl-N''-benzoylphosphoryltriamide | 55819-63-1

• 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: N,N'-tetraethyl-N''-benzoylphosphoryltriamide
• 英文别名: Benzamide, N-[bis(diethylamino)phosphinyl]-；N-[bis(diethylamino)phosphoryl]benzamide
• CAS: 55819-63-1
• 化学式: C₁₅H₂₆N₃O₂P
• mdl: MFCD00181775
• 分子量: 311.364
• InChiKey: YBMPXYCMMKTHGC-UHFFFAOYSA-N

物化性质

• 熔点：
  99-101 °C
• 密度：
  1.096±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  21
• 可旋转键数：
  8
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  52.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  lutetium(III) nitrate hydrate 、 N,N'-tetraethyl-N''-benzoylphosphoryltriamide 以 甲醇 、 异丙醇 为溶剂， 以80-90的产率得到tris(N,N'-tetraethyl-N''-benzoylphosphoryltriamide) lutetium(III) trinitrate
  参考文献：
  名称：

  Spectroscopic characterization of lanthanide complexes with N,N′-tetraethyl-N′′-benzoylphosphoryltriamide. Crystal structure of tris(N,N′-tetraethyl-N′′-benzoylphosphoryltriamide) cerium(III) trinitrate complex

  摘要：

  A new range of lanthanide compounds of the formula Ln(HL)(3)(NO3)(3) where Ln=La, Ce-Nd, Sm-Lu, Y; HL = C6H5C(O)N(H)P(O)[N(CH2CH3)(2)](2)-N,N'-tetraethy-N " -benzoylphosphoryltriamide have been prepared and characterized by means of IR,H-1, P-31 NMR and UV-Vis spectroscopies. The compounds are isomorphous according to X-ray powder diffraction studies. The crystal and molecular structure of Ce(HL)(3)(NO3)(3) has been determined by X-ray diffraction studies. The complex has a molecular structure. The monodentate neutral phosphoryltriamide ligands are coordinated to the metal ion via phosphoryl oxygen atom. The coordination polyhedron of Ce is a tricapped trigonal prism, CN = 9 [6O(NO3-) + 3O(P-O)]. By UV-Vis spectroscopy it was shown that in acetonitrile solution the neodymium complex with molar ratio 1:3 (Nd3+:HL) exists: (stability constant = 2.56). (C) 2000 Elsevier Science B.V. All rights: reserved.

  DOI：

  10.1016/s0277-5387(00)00526-x
• 作为产物：
  描述：

  N,N,N',N'-tetraethyl-P-(trichloromethyl)phosphonimidic diamide 在 氢氧化钾 作用下， 以 乙醇 、 苯 为溶剂， 反应 34.0h， 生成 N,N'-tetraethyl-N''-benzoylphosphoryltriamide
  参考文献：
  名称：

  Kozlov, E. S.; Dubenko, L. G., Journal of general chemistry of the USSR, 1986, vol. 56, # 12, p. 2396 - 2399

  摘要：

  DOI：

文献信息

• KOZLOV EH. S.; DUBENKO L. G., ZH. OBSHCH. XIMII, 56,(1986) N 12, 2707-2711
  作者：KOZLOV EH. S.、 DUBENKO L. G.

  DOI：——

  日期：——
• Kozlov, E. S.; Dubenko, L. G., Journal of general chemistry of the USSR, 1986, vol. 56, # 12, p. 2396 - 2399
  作者：Kozlov, E. S.、Dubenko, L. G.

  DOI：——

  日期：——
• Spectroscopic characterization of lanthanide complexes with N,N′-tetraethyl-N′′-benzoylphosphoryltriamide. Crystal structure of tris(N,N′-tetraethyl-N′′-benzoylphosphoryltriamide) cerium(III) trinitrate complex
  作者：Katerina E. Gubina、Julia A. Shatrava、Vladimir A. Ovchynnikov、Vladimir M. Amirkhanov

  DOI：10.1016/s0277-5387(00)00526-x

  日期：2000.10

  A new range of lanthanide compounds of the formula Ln(HL)(3)(NO3)(3) where Ln=La, Ce-Nd, Sm-Lu, Y; HL = C6H5C(O)N(H)P(O)[N(CH2CH3)(2)](2)-N,N'-tetraethy-N " -benzoylphosphoryltriamide have been prepared and characterized by means of IR,H-1, P-31 NMR and UV-Vis spectroscopies. The compounds are isomorphous according to X-ray powder diffraction studies. The crystal and molecular structure of Ce(HL)(3)(NO3)(3) has been determined by X-ray diffraction studies. The complex has a molecular structure. The monodentate neutral phosphoryltriamide ligands are coordinated to the metal ion via phosphoryl oxygen atom. The coordination polyhedron of Ce is a tricapped trigonal prism, CN = 9 [6O(NO3-) + 3O(P-O)]. By UV-Vis spectroscopy it was shown that in acetonitrile solution the neodymium complex with molar ratio 1:3 (Nd3+:HL) exists: (stability constant = 2.56). (C) 2000 Elsevier Science B.V. All rights: reserved.