N-(diphenylphosphoryl)benzamide | 59022-97-8

• 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-(diphenylphosphoryl)benzamide
• 英文别名: Diphenyl-phosphinsaeure-benzamid；N-Diphenyl-phosphinyl-benzoylamid；N-diphenylphosphorylbenzamide
• CAS: 59022-97-8
• 化学式: C₁₉H₁₆NO₂P
• 分子量: 321.315
• InChiKey: JFZHNWGRUWMCCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  46.2
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(diphenylphosphoryl)benzamide 在 sodium methylate 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  基于 N-(二苯基磷酰基)苯甲酰胺的镧系元素配位化合物的合成和光谱研究。N-(二苯基磷酰基)苯甲酰胺的结构式

  摘要：

  摘要 N-（二苯基磷酰基）苯甲酰胺（HL）及其钠盐和新型镧系元素配位化合物的通式为LnL3⋅i-PrOH, LnL3Dipy LnL3Phen (Ln = La, Nd, Eu, Gd, Tb; Dipy = α,α' –联吡啶；Phen = 1,10-菲咯啉）已被合成。解决了HL的晶体结构。建立了N-(二苯基磷酰基)苯甲酰胺晶体结构的聚合物骨架。无限长的分子链由连接相邻分子的 NH⋅⋅⋅O 型氢键形成。通过热重分析、IR、NMR 1H、31P、吸收光谱和298和77K的发光光谱研究了合成的配位化合物。得到的Eu(III)和Tb(III)配合物发光特性依赖于配体的三重态在复合体中进行了讨论。

  DOI：

  10.1016/j.molstruc.2014.03.069
• 作为产物：
  描述：

  苯甲酰氯 在 三甲基氯硅烷 、 sodium azide 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 N-(diphenylphosphoryl)benzamide
  参考文献：
  名称：

  使用修饰的斯托丁格反应合成酰基磷酸氨基甲酸酯

  摘要：

  在改良的施陶丁格反应中，采用三甲基甲硅烷基氯作为活化剂，已经开发了由多种官能化的酰基叠氮化物一步合成酰基氨基磷酸酯的方法。该方法进一步适于包括从多种选择的羧酸和酰肼起始合成子中原位产生酰基叠氮化物。反应范围扩大到包括亚氨基二磷酸酯和天然产物Microcin C的合成。

  DOI：

  10.1021/acs.orglett.0c03987

文献信息

• Syntheses, crystal structure, photophysical property and theoretical study of a new series of iridium complexes with N-(diphenylphosphoryl)benzamide derivatives as the ancillary ligands
  作者：Tian-Yi Li、Xiao Liang、Chen Wu、Li-Sha Xue、Qiu-Lei Xu、Song Zhang、Xuan Liu、You-Xuan Zheng、Xiu-Qiang Wang

  DOI：10.1016/j.jorganchem.2014.01.014

  日期：2014.4

  Seven iridium complexes with the general structure of (tfmppy)(2)Ir(L-1-L-7) (tfmppy = 4-trifluoromethyl phenylpyridine) were synthesized, where ancillary ligands L1-L7 are fluorine-or trifluoromethyl-substituted (-F or -CF3) N-(diphenylphosphoryl)benzamide derivatives. Single crystal X-ray diffraction study was undertaken on all complexes, which showed that each adopted the distorted octahedral coordination geometry with the conventional trans-N, cis-C arrangement in the coordination sphere. Electrochemical study confirmed the electron-withdrawing -F and -CF3 substituents on the ancillary ligands have effects on the Ir-III/IV redox couples and HOMO/LUMO energy levels. Density functional theory (DFT) calculation results showed that the HOMOs are composed of Ir 5d orbital (about 55%) and pi orbitals of the phenyl rings (about 38%) in tfmppy ligands, whilst the LUMOs are mostly localized on both the phenyl and pyridine rings of tfmppy (about 90%). All the complexes own the similar emission peaks around 520 nm with short phosphorescent decay time about 2 mu s at ambient temperature and relatively high internal quantum efficiencies from 37.5 to 61.2%. This work showed that the iridium complexes with N-(diphenylphosphoryl)benzamide derivatives as the ancillary ligands possess the potential as phosphorence dopants in the organic light-emitting diodes (OLEDs). (C) 2014 Elsevier B. V. All rights reserved.
• Tomaschewski,T.; Kuehn,G., Zeitschrift fur Chemie, 1968, vol. 8, p. 461
  作者：Tomaschewski,T.、Kuehn,G.

  DOI：——

  日期：——
• Spectroscopic and structural characterization of O,O′-(diphenylphosphineoxide)amidate and acetylacetonate complexes of pentacoordinate nickel(II)
  作者：Rocío García-Bueno、M. Dolores Santana、Gregorio Sánchez、Joaquín García、Gabriel García、José Pérez、Luís García

  DOI：10.1016/j.jorganchem.2008.09.075

  日期：2009.2

  Heteroleptic nickel pentacoordinate complexes with the macrocyclic ligands 2,4,4-trimethyl-1,5,9-triazacyclododec-1-ene (Me-3-mcN(3)) or its 9-methyl derivative (Me-4-mcN(3)), as ancillary ligands, and O,O'-(diphenylphosphineoxide) amidate ligands, [RC(O)NP(O)Ph-2] (R = C6H6 (1), C5H4N (2), C4H3S (3)), have been prepared as well as related acetylacetonate derivatives. The complexes have been studied by spectroscopic methods (IR, UV-Vis and H-1 NMR). In acetone solution, the complexes exhibit isotropically shifted H-1 NMR resonances. The full assignment of these resonances has been achieved using one- and two-dimensional H-1 NMR techniques. The single-crystal structures of (Me-4-mcN(3)) Ni[OP(Ph-2)NC(Tf)O]}[PF6] (9) and (Me-3-mcN(3))Ni(acac)}[PF6] (10) have been established by X-ray diffraction. (C) 2008 Elsevier B. V. All rights reserved.
• New Inorganic Metallacycles and the First Six-Membered Covalent “True” Heterocycle – Oxidation of RC(E)NHPPh2 (E = O or S; R = H2N, Ph, or Py) with O, S, or Se to Give RC(E)NHP(E′)Ph2 (E′ = O, S, Se) and Their Coordination Chemistry
  作者：David J. Birdsall、Jason Green、Tuan Q. Ly、Josef Novosad、Marek Necas、Alexandra M. Z. Slawin、J. Derek Woollins、Zdirak Zak

  DOI：10.1002/(sici)1099-0682(199909)1999:9<1445::aid-ejic1445>3.0.co;2-s

  日期：1999.9
• Electronic properties of the S = 5/2 Mn(II) complexes [Mn{PhC(O)NP(O)PPh2}(N,N)(NO3)], (N,N) = phenanthroline, neocuproine, 2,2′-bipyridine
  作者：Konstantina Nano、Georgia Zahariou、Polydoros-Chrisovalantis Ioannou、Md Mehboob Alam、Dimitrios A. Pantazis、Catherine P. Raptopoulou、Vassilis Psycharis、Yiannis Sanakis、Panayotis Kyritsis

  DOI：10.1016/j.poly.2021.115374

  日期：2021.10