N-[2-(diphenylphosphino)phenyl]-2-[(triphenylmethylmercapto)methylcarbonylamino]ethanamide | 959758-61-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 三苯基化合物
• 英文名称: N-[2-(diphenylphosphino)phenyl]-2-[(triphenylmethylmercapto)methylcarbonylamino]ethanamide
• 英文别名: Ph-P(Ph)2N2S(Trt)；N-[2-(diphenylphosphino)phenyl]-2-[(S-trityl)acetylamino]ethanamide；N-(2-diphenylphosphanylphenyl)-2-[(2-tritylsulfanylacetyl)amino]acetamide
• CAS: 959758-61-3
• 化学式: C₄₁H₃₅N₂O₂PS
• 分子量: 650.781
• InChiKey: YKRIYJXCRJEVKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  8.5
• 重原子数：
  47
• 可旋转键数：
  12
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  83.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [ReNCl2(PPh3)2] 、 N-[2-(diphenylphosphino)phenyl]-2-[(triphenylmethylmercapto)methylcarbonylamino]ethanamide 在 NaOAc 作用下， 以 甲苯 为溶剂， 以25%的产率得到[N-(2-(diphenylphosphino)phenyl)-2-((triphenylmethylmercapto)methylcarbonylamino)ethanamido(4-)-κ(4)P,N,N',S]oxorhenate(V)
  参考文献：
  名称：

  First examples of neutral rhenium(V) complexes with a novel semi-rigid ligand containing a P,N,N,S donor atom set: Synthesis, characterisation and crystal structure

  摘要：

  A new PN2S ligand, N-[2-(diphenylphosphino)phenyl]-2-[(S-trityl)acetylamino]ethanamide [Ph-P(Ph-2)N2S(Trt)], was synthesised and reacted with Rev precursors. The reaction of both tritylated and detritylated ligands with ReOCl3(PPh3)(2) gave the same expected neutral complex [ReO{Ph-P(Ph-2)N2S}] (4) in good yield. An unexpected neutral and diamagnetic species, [ReN{Ph-P(Ph-2)N2S(Trt)}] (5), has been isolated during the complexation of the tritylated ligand with ReNCl2(PPh3)(2). The complexes, characterized by classical spectroscopic methods and X-ray analysis for 4, are the first examples of neutral semi-rigid-PN2S rhenium(V) complexes. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2007.07.032

文献信息

• First examples of neutral rhenium(V) complexes with a novel semi-rigid ligand containing a P,N,N,S donor atom set: Synthesis, characterisation and crystal structure
  作者：Laure Latapie、Julien Le Gal、Bassem Hamaoui、Joël Jaud、Marie Gressier、Eric Benoist

  DOI：10.1016/j.poly.2007.07.032

  日期：2007.10

  A new PN2S ligand, N-[2-(diphenylphosphino)phenyl]-2-[(S-trityl)acetylamino]ethanamide [Ph-P(Ph-2)N2S(Trt)], was synthesised and reacted with Rev precursors. The reaction of both tritylated and detritylated ligands with ReOCl3(PPh3)(2) gave the same expected neutral complex [ReOPh-P(Ph-2)N2S}] (4) in good yield. An unexpected neutral and diamagnetic species, [ReNPh-P(Ph-2)N2S(Trt)}] (5), has been isolated during the complexation of the tritylated ligand with ReNCl2(PPh3)(2). The complexes, characterized by classical spectroscopic methods and X-ray analysis for 4, are the first examples of neutral semi-rigid-PN2S rhenium(V) complexes. (c) 2007 Elsevier Ltd. All rights reserved.