[η5-carboxymethoxycyclopentadienyl][η4-1,3-bis(pentafluorocycltriphosphazenyl)-2,4-diphenylcyclobutadiene]cobalt | 912478-05-8

• 英文名称: [η5-carboxymethoxycyclopentadienyl][η4-1,3-bis(pentafluorocycltriphosphazenyl)-2,4-diphenylcyclobutadiene]cobalt
• 英文别名: η5-carbomethoxycyclopentadienyl(η4-1,3-bis(pentafluorocyclotriphosphazenyl)-2,4-diphenylcyclobutadiene)cobalt
• CAS: 912478-05-8
• 化学式: C₂₃H₁₇CoF₁₀N₆O₂P₆
• 分子量: 844.247
• InChiKey: DBDBBFOVEIRWFS-UHFFFAOYSA-N

物化性质

• 熔点：
  200-205 °C

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  η5-carbomethoxycyclopentadienyl(η4-cyclooctadiene)cobalt 、 [PhCC(F)PN](PNF2)2 、 茚 以 xylene 为溶剂， 以40%的产率得到η5-carbomethoxycyclopentadienyl(η4-1,4-bis(pentafluorocyclotriphosphazene)-2,3-diphenyl-9,9a,dihydro-4aH-fluorene)cobalt
  参考文献：
  名称：

  RCpCo（COD）[R = MeOC（O）]与炔烃和烯烃的反应中环磷腈衍生的1,3-环己二烯的合成和选择性。

  摘要：

  已经制备了单和双氟磷腈衍生的[η（5）-环戊二烯基] [η（4）-1,3-环己二烯]钴配合物的第一实例以及三明治化合物[η（5）-羰基甲氧基环戊二烯基] [η（4） [η（5）-MeOC（O）C 5H 4] Co [COD]，PhCCP 3N 3F 5和在存在或不存在额外的环烯烃或茚的情况下形成苯乙炔。这些单和双氟磷腈衍生的钴环己二烯配合物的形成为CpCo催化反应中环己二烯形成的金属环戊二烯途径提供了实验证据。在双氟磷腈衍生的环己二烯的形成中也观察到选择性，这是由于以下事实：两个P 3N 3F 5单元不能容纳在碳环或金属环的相邻碳原子上。有趣的是，在相同反应条件下，在存在和不存在外部环烯烃的条件下，（β-苯基乙炔基）五氟苯与[η（5）-MeOC（O）C 5H 4] Co [COD]的反应仅产生顺式和反式异构体。茂金属[η（5）-MeOC（O）C 5H 4] Co [eta（4）-C 4Ph

  DOI：

  10.1021/ic7024507

文献信息

• Synthesis and Characterization of Novel Fluorophosphazene-Derived Cobaltacyclopentadienyl Metallacycles:  Reagents for Assembly of Aryl-Bridged Fluorophosphazenes
  作者：Muthiah Senthil Kumar、Shailesh Upreti、Anil J. Elias

  DOI：10.1021/ic0609204

  日期：2006.9.1

  Reaction of (beta-phenylethynyl) pentafluorocyclotriphosphazene, F5P3N3C CPh, with in situ generated eta(5)-(MeOC-(O)C5H4)Co(PPh3) 2 resulted in the formation of two isomers of cobaltacyclopentadienylmetallacycles, (eta(5)-carbomethoxycyclopentadienyl)(triphenylphosphine)-2,5-bis(pentafluorocyclotriphosphazenyl)-3,4-diphenyl cobaltacyclopentadiene (1) and (eta(5)-carbomethoxycyclopentadienyl)(triphenylphosphine)-2,4-bis(pentafluorocyclotriphosphazenyl)3,5-diphenyl cobaltacyclopentadiene (2), along with the sandwich compound [eta(5)-carbomethoxycyclopentadienyl][[eta(4)-1,3-bis(pentafluorocyclotriphosphazenyl)-2,4-diphenylcyclobutadiene] cobalt (3). Formation of cobaltacyclopentadienylmetallacycles or cyclobutadienylmetallocene having two fluorophosphazene units on vicinal carbon atoms of the rings was not observed in this reaction. Reaction of 1 with diphenylacetylene resulted in the formation of a novel aryl-bridged fluorophosphazene, 1,4-bis(pentafluorocyclotriphosphazenyl) -2,3,5,6-tetraphenyl benzene (4), and the conversion of cobaltametallacycle to the sandwich compound, [eta(5)-(MeOC(O)C5H4] Co(eta(4)-C4Ph4) (5). Reaction of 1 with phenylacetylene resulted in the formation of aryl-bridged fluorophosphazene, 1,4-bis(pentafluorophosphazenyl) 2,3,5,-triphenyl benzene (6). New compounds 1 -4 were structurally characterized. In compound 1, the two fluorophosphazene units were oriented in gauche form with respect to each other. However, in compounds 2 and 3, they were eclipsed to each other, and in compound 4, they were oriented anti to each other.