(β-phenylethynyl)-gem-diphenyltrifluorocyclotriphosphazene | 1312365-10-8

• 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: (β-phenylethynyl)-gem-diphenyltrifluorocyclotriphosphazene
• 英文别名: 2,2,4-Trifluoro-6,6-diphenyl-4-(2-phenylethynyl)-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-2,4,6-triene；2,2,4-trifluoro-6,6-diphenyl-4-(2-phenylethynyl)-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-2,4,6-triene
• CAS: 1312365-10-8
• 化学式: C₂₀H₁₅F₃N₃P₃
• 分子量: 447.276
• InChiKey: NTBKNGPXLOVZRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  37.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  cobalt,triphenylphosphane,chloride 、 (β-phenylethynyl)-gem-diphenyltrifluorocyclotriphosphazene 、 sodium (methoxycarbonyl)cyclopentadienide 以 四氢呋喃 、 甲苯 为溶剂， 以15%的产率得到[η5-carbomethoxycyclopentadienyl][η4-1,3-bis(gem-diphenyltrifluorocyclotriphosphazenyl)-2,4-diphenylcyclobutadiene]cobalt
  参考文献：
  名称：

  Synthesis of (β-phenylethynyl)-gem-diphenyltrifluorocyclotriphosphazene and its reaction with RCpCo(PPh3)2 [R=MeOC(O)]

  摘要：

  Reaction of gem-diphenyltetrafluorocyclotriphosphazene with in situ generated lithiated phenylacetylene resulted in the formation of the first example of a gem-diphenyltrifluorophosphazene based alkyne (beta-phenylethynyl)-gem-diphenyltrifluorocyclotriphosphazene (NPPh2)(NPF2)[NP(F)C CPh] 1. Reaction of this alkyne with eta(5)-(MeOC(O)C5H4)Co(PPh3)(2) resulted in the formation of a CpCo stabilized cyclobutadiene complex [eta(5)-carbomethoxycyclopentadienyl][eta(4)-1,3-bis(gem-diphenyltrifluorocyclotriphosphazenyl)-2,4-diphenylcyclobutadiene]cobalt 2, having two gem-diphenyltrifluorophosphazene moieties trans to each other on the cyclobutadiene ring. The reaction also yielded two structural isomers of the PPh3 stabilized cobaltacyclopentadiene compounds 3 and 4 having gem diphenyl trifluorophosphazene moieties present in the 2,4 and 2,5 positions of the metallacycle. The reaction in addition yielded a novel spirocyclic phosphazacyclopentadiene compound bound to a CpCo unit in the eta(4)-mode 5. All the compounds were characterized by H-1, C-13, P-31 and F-19 NMR spectroscopy and compounds 2, 3 and 5 were also structurally characterized by X-ray crystallography. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.01.064
• 作为产物：
  描述：

  gem-diphenyltetrafluorophosphazene 、 苯乙炔 在 正丁基锂 作用下， 以 四氢呋喃 为溶剂， 以60%的产率得到(β-phenylethynyl)-gem-diphenyltrifluorocyclotriphosphazene
  参考文献：
  名称：

  Synthesis of (β-phenylethynyl)-gem-diphenyltrifluorocyclotriphosphazene and its reaction with RCpCo(PPh3)2 [R=MeOC(O)]

  摘要：

  Reaction of gem-diphenyltetrafluorocyclotriphosphazene with in situ generated lithiated phenylacetylene resulted in the formation of the first example of a gem-diphenyltrifluorophosphazene based alkyne (beta-phenylethynyl)-gem-diphenyltrifluorocyclotriphosphazene (NPPh2)(NPF2)[NP(F)C CPh] 1. Reaction of this alkyne with eta(5)-(MeOC(O)C5H4)Co(PPh3)(2) resulted in the formation of a CpCo stabilized cyclobutadiene complex [eta(5)-carbomethoxycyclopentadienyl][eta(4)-1,3-bis(gem-diphenyltrifluorocyclotriphosphazenyl)-2,4-diphenylcyclobutadiene]cobalt 2, having two gem-diphenyltrifluorophosphazene moieties trans to each other on the cyclobutadiene ring. The reaction also yielded two structural isomers of the PPh3 stabilized cobaltacyclopentadiene compounds 3 and 4 having gem diphenyl trifluorophosphazene moieties present in the 2,4 and 2,5 positions of the metallacycle. The reaction in addition yielded a novel spirocyclic phosphazacyclopentadiene compound bound to a CpCo unit in the eta(4)-mode 5. All the compounds were characterized by H-1, C-13, P-31 and F-19 NMR spectroscopy and compounds 2, 3 and 5 were also structurally characterized by X-ray crystallography. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.01.064

文献信息

• Synthesis of (β-phenylethynyl)-gem-diphenyltrifluorocyclotriphosphazene and its reaction with RCpCo(PPh3)2 [R=MeOC(O)]
  作者：Muthiah Senthil Kumar、Dheeraj Kumar、Anil J. Elias

  DOI：10.1016/j.ica.2011.01.064

  日期：2011.6

  Reaction of gem-diphenyltetrafluorocyclotriphosphazene with in situ generated lithiated phenylacetylene resulted in the formation of the first example of a gem-diphenyltrifluorophosphazene based alkyne (beta-phenylethynyl)-gem-diphenyltrifluorocyclotriphosphazene (NPPh2)(NPF2)[NP(F)C CPh] 1. Reaction of this alkyne with eta(5)-(MeOC(O)C5H4)Co(PPh3)(2) resulted in the formation of a CpCo stabilized cyclobutadiene complex [eta(5)-carbomethoxycyclopentadienyl][eta(4)-1,3-bis(gem-diphenyltrifluorocyclotriphosphazenyl)-2,4-diphenylcyclobutadiene]cobalt 2, having two gem-diphenyltrifluorophosphazene moieties trans to each other on the cyclobutadiene ring. The reaction also yielded two structural isomers of the PPh3 stabilized cobaltacyclopentadiene compounds 3 and 4 having gem diphenyl trifluorophosphazene moieties present in the 2,4 and 2,5 positions of the metallacycle. The reaction in addition yielded a novel spirocyclic phosphazacyclopentadiene compound bound to a CpCo unit in the eta(4)-mode 5. All the compounds were characterized by H-1, C-13, P-31 and F-19 NMR spectroscopy and compounds 2, 3 and 5 were also structurally characterized by X-ray crystallography. (C) 2011 Elsevier B. V. All rights reserved.