2-[4-[[2,4,4,6,6-Pentakis(4-tert-butylphenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]acetonitrile | 228244-60-8

• 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: 2-[4-[[2,4,4,6,6-Pentakis(4-tert-butylphenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]acetonitrile
• 英文别名: 2-[4-[[2,4,4,6,6-pentakis(4-tert-butylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]acetonitrile
• CAS: 228244-60-8
• 化学式: C₅₈H₇₁N₄O₆P₃
• 分子量: 1013.15
• InChiKey: ZJIBXJUOEFEESU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  19.8
• 重原子数：
  71
• 可旋转键数：
  18
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  116
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  ammonium hexafluorophosphate 、 [1,2-bis(diphenylphosphino)ethane](η5-cyclopentadienyl)iron(II) iodide 、 2-[4-[[2,4,4,6,6-Pentakis(4-tert-butylphenoxy)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]acetonitrile 以 甲醇 为溶剂， 以49%的产率得到cyclopenta-1,3-diene;2-diphenylphosphanylethyl(diphenyl)phosphane;iron(2+);2-[4-[[2,4,4,6,6-pentakis(4-tert-butylphenoxy)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]acetonitrile;hexafluorophosphate
  参考文献：
  名称：

  Iron and ruthenium derivatives of cyclophosphazenes coordinated through nitrile spacer ligands

  摘要：

  N3P3(O-C6H4-Bu-t)(5)Cl reacts with 4-hydroxybenzylcyanide in acetone in the presence of K2CO3, to give the cyanide ligand N3P3(O-C6H4-Bu-t)(5)(O-C6H4-CH2-CN) (1). The monofunctionalized cyclotriphosphazene, N3P3(O-C6H4-Bu-t)(5)(O-C6H4-CH2-CN), reacted with CpFe(dppe)I and with CpRu(PPh3)(2)Cl in the presence of NH4PF6 and in CH3OH as solvent to give the monocationic complexes [N3P3(O-C6H4-Bu-t)(5)(O-C6H4-CH2CN) Fe(Cp)dppe]PF6 (2) and [N3P3(O-C6H4-Bu-t)(5)(O-C6H4-CH2-CN)Ru-.(Cp)(PPh3)(2)] PF6 (3), respectively. Electrochemical as well as chemical oxidation of (2) and (3) with NOBF4 yield the stable dicationic species (2)(+) and (3)(+). Electrochemical as well as spectroscopic data suggest that ligand (1) behaves like a nitrile ligand. The small influence of the cyclophosphazene ring upon coordination is attributed to the long length of the organic spacer groups. An exponential dependence of Delta(31)P(coord) With the spacer length was found for several organometallic derivatives of cyclophosphazene. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00009-1

文献信息

• Iron and ruthenium derivatives of cyclophosphazenes coordinated through nitrile spacer ligands
  作者：C Dı́az V、I Izquierdo G

  DOI：10.1016/s0277-5387(99)00009-1

  日期：1999.3

  N3P3(O-C6H4-Bu-t)(5)Cl reacts with 4-hydroxybenzylcyanide in acetone in the presence of K2CO3, to give the cyanide ligand N3P3(O-C6H4-Bu-t)(5)(O-C6H4-CH2-CN) (1). The monofunctionalized cyclotriphosphazene, N3P3(O-C6H4-Bu-t)(5)(O-C6H4-CH2-CN), reacted with CpFe(dppe)I and with CpRu(PPh3)(2)Cl in the presence of NH4PF6 and in CH3OH as solvent to give the monocationic complexes [N3P3(O-C6H4-Bu-t)(5)(O-C6H4-CH2CN) Fe(Cp)dppe]PF6 (2) and [N3P3(O-C6H4-Bu-t)(5)(O-C6H4-CH2-CN)Ru-.(Cp)(PPh3)(2)] PF6 (3), respectively. Electrochemical as well as chemical oxidation of (2) and (3) with NOBF4 yield the stable dicationic species (2)(+) and (3)(+). Electrochemical as well as spectroscopic data suggest that ligand (1) behaves like a nitrile ligand. The small influence of the cyclophosphazene ring upon coordination is attributed to the long length of the organic spacer groups. An exponential dependence of Delta(31)P(coord) With the spacer length was found for several organometallic derivatives of cyclophosphazene. (C) 1999 Elsevier Science Ltd. All rights reserved.