N-(bis(phenylamino)phosphoryl)-2,2,2-trichloroacetamide | 200190-50-7

• 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-(bis(phenylamino)phosphoryl)-2,2,2-trichloroacetamide
• 英文别名: N,N'-diphenyl-N''-trichloroacetylphosphorictriamide；N,N'-diphenyl-N''-trichloroacetyl-phosphamide；N,N'-Diphenyl-N''-trichloracetyl-phosphamid；Phosphorsaeure-dianilid-(trichloracetyl-amid)；2,2,2-trichloro-N-dianilinophosphorylacetamide
• CAS: 200190-50-7
• 化学式: C₁₄H₁₃Cl₃N₃O₂P
• 分子量: 392.609
• InChiKey: VMTCKIJIMJVFIX-UHFFFAOYSA-N

物化性质

• 密度：
  1.548±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  70.2
• 氢给体数：
  3
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-(bis(phenylamino)phosphoryl)-2,2,2-trichloroacetamide 、 neodymium(III) nitrate 在 NaOMe 作用下， 以50%的产率得到
  参考文献：
  名称：

  Comparative optical studies of lanthanide complexes with three types of phosphoro-azo derivatives of β-diketones

  摘要：

  A new class of lanthanide compounds of the formula Na[LnL(4)]. H2O and LnC(3). 2H(2)O (where L = Wo or Az; Wo = CCl3-C(O)-N-P(O)-(OCH3)(2); Az = C6H5-C(O)-N-P(O)[N(CH2)(2)](2); C = CCl3-C(O)-N-P(O)(NHC6H5)(2)) was obtained from mixed solvent solutions with the three types of phosphoro-azo derivatives of the beta-diketones. Spectroscopic properties of these complexes are investigated and related to the structure and single crystal spectra of one of the above mentioned compounds [Amirkhanow et al., J. Appl. Spectr. 62 (1995) 5; Amirkhanow et al., Acta Phys. Polonica 90 (1996) 455]. The strong interaction of the ligands with the lanthanides was confirmed both by IR and electronic spectra. The intensities and splitting pattern of the electronic levels were used for the structure determination. IR and Raman spectra in the FIR and MIR regions have been recorded for solid lanthanide(III) (Eu, Pr, Nd) complexes with phosphoro-azo-beta-diketones (Wo, Az and C). The normal coordinate analysis and potential energy distribution were performed for Ln(NPC2O4) molecular system consisting four chelate rings. On that basis, the assignment of the bands observed is proposed and related to the crystal structure of the complexes studied. (C) 1999 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s1386-1425(98)00193-0
• 作为产物：
  描述：

  N-(Dichlorophosphinyl)-imino-tetrachlorethan 、 苯胺 生成 N-(bis(phenylamino)phosphoryl)-2,2,2-trichloroacetamide
  参考文献：
  名称：

  Steinkopf, Chemische Berichte, 1908, vol. 41, p. 3585

  摘要：

  DOI：

文献信息

• New carbacylamidophosphates (CAPh) and CAPh-containing coordination compounds: structural peculiarities
  作者：Olena O. Litsis、Iuliia O. Shatrava、Oleksiy V. Amirkhanov、Vladimir A. Ovchynnikov、Tatiana Yu. Sliva、Svetlana V. Shishkina、Viktoriya V. Dyakonenko、Oleg V. Shishkin、Vladimir M. Amirkhanov

  DOI：10.1007/s11224-015-0701-x

  日期：2016.2

  2,2,2-trichloroacetamide (CCl3C(O)N(H)P(O)(NHC6H5)2, HL3), Nd(NO3)3(HL4)2 (5), Nd(NO3)3(HL5)2 (6) and UO2(NO3)2(HL5)2 (7) (HL4=CH3(C4H3N)C(O)N(H)P(O)(N(CH3)2)2 –N-(bis(dimethylamino)phosphoryl)-1-methyl-1H-pyrrole-2-carboxamide, HL5=CH3(C4H3N)C(O)N(H)P(O)(N(C2H5)2)2—N-(bis(diethylamino)phosphoryl)-1-methyl-1H-pyrrole-2-carboxamide) have been synthesized. Obtained compounds were characterized by means

  通过FTIR、1H和31P NMR光谱表征获得的化合物。已确定 1-7 的晶体结构。化合物2代表具有羰基和磷酰基桥连功能的去质子化CAPh化合物的第一个结构。讨论了合成配位化合物组成中 CAPh 配体的结构特性。
• Steinkopf, Chemische Berichte, 1908, vol. 41, p. 3585
  作者：Steinkopf

  DOI：——

  日期：——
• Comparative optical studies of lanthanide complexes with three types of phosphoro-azo derivatives of β-diketones
  作者：J. Sokolnicki、J. Legendziewicz、W. Amirkhanov、V. Ovchinnikov、L. Macalik、J. Hanuza

  DOI：10.1016/s1386-1425(98)00193-0

  日期：1999.2

  A new class of lanthanide compounds of the formula Na[LnL(4)]. H2O and LnC(3). 2H(2)O (where L = Wo or Az; Wo = CCl3-C(O)-N-P(O)-(OCH3)(2); Az = C6H5-C(O)-N-P(O)[N(CH2)(2)](2); C = CCl3-C(O)-N-P(O)(NHC6H5)(2)) was obtained from mixed solvent solutions with the three types of phosphoro-azo derivatives of the beta-diketones. Spectroscopic properties of these complexes are investigated and related to the structure and single crystal spectra of one of the above mentioned compounds [Amirkhanow et al., J. Appl. Spectr. 62 (1995) 5; Amirkhanow et al., Acta Phys. Polonica 90 (1996) 455]. The strong interaction of the ligands with the lanthanides was confirmed both by IR and electronic spectra. The intensities and splitting pattern of the electronic levels were used for the structure determination. IR and Raman spectra in the FIR and MIR regions have been recorded for solid lanthanide(III) (Eu, Pr, Nd) complexes with phosphoro-azo-beta-diketones (Wo, Az and C). The normal coordinate analysis and potential energy distribution were performed for Ln(NPC2O4) molecular system consisting four chelate rings. On that basis, the assignment of the bands observed is proposed and related to the crystal structure of the complexes studied. (C) 1999 Elsevier Science B.V. All rights reserved.