[Mo2Cp2(μ-H)(μ-PCy(OPh))(CO)4] | 916503-58-7

• 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: [Mo2Cp2(μ-H)(μ-PCy(OPh))(CO)4]
• 英文别名: carbon monoxide;cyclohexyl(phenoxy)phosphanide;cyclopenta-1,3-diene;hydride;molybdenum(2+)
• CAS: 916503-58-7；916451-33-7
• 化学式: C₂₆H₂₇Mo₂O₅P
• 分子量: 642.351
• InChiKey: CRTDPGDVTVWDQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.03
• 重原子数：
  34
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  13.2
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  [Mo2Cp2(μ-H)(μ-PCy(OC6H4OH))(CO)4] 、 2,3,4,5,7,8,9,10-octahydropyrido[1,2-a][1,3]diazepine 、 苯酚 在 (NH₄)PF₆ 作用下， 以 四氢呋喃 为溶剂， 以61%的产率得到[Mo2Cp2(μ-H)(μ-PCy(OPh))(CO)4]
  参考文献：
  名称：

  Trapping of Hemiquinone Radicals at Mo and P Sites by Phosphide-Bridged Dimolybdenum Species:  Chemistry of Complexes [Mo₂(η⁵-C₅H₅)₂(OC₆H₄OH)(μ-PR₂)(CO)₄] and [Mo₂(η⁵-C₅H₅)₂{μ-PR(OC₆H₄OH)}(CO)₄]^- (R = Cy, Ph)

  摘要：

  The phosphide-bridged dimolybdenum complexes ( H-DBU)[ Mo2Cp2( mu-PR2)( CO)(4)] ( R) Cy, Ph; DBU) 1,8-diazabicyclo[ 5.4.0.] undec-7-ene) react with p-benzoquinone to give the hemiquinone complexes [ Mo2Cp2( OC6H4OH)( mu-PR2)( CO)(4)]. The latter experience facile homolytic cleavage of the corresponding Mo-O bonds and react readily at room temperature with HSPh or S2Ph2 to give the thiolate complexes [ Mo2Cp2( mu-PCy2)( mu-SPh)( CO)(4)] or [ Mo2Cp2( mu-PR2)( mu-SPh)( CO)(2)]. In contrast, PRH-bridged substrates experience overall insertion of quinone into the P - H bond to give the anionic compounds ( H-DBU)[ Mo2Cp2 {A- PR( OC6H4OH)}( CO)(4)], which upon acidification yield the corresponding neutral hydrides. The cyclohexyl anion experiences rapid nucleophilic displacement of the hemiquinone group by different anions ER- ( ER) OH, OMe, OC4H5, OPh, SPh) to give novel anionic compounds ( H-DBU)[ Mo2Cp2 {mu-PCy( ER)}( CO)(4)], which upon acidification yield the corresponding neutral hydrides. The structure of four of these hydride complexes [ PPh( OC6H4OH), PCy( OH), PCy( OMe), and PCy( OPh) bridges] was determined by X-ray diffraction methods and confirmed the presence of cis and trans isomers in several of these complexes. In addition, it was found that the hydroxyphosphide anion [ Mo2Cp2 {A- PCy( OH)}( CO)(4)]- displays in solution an unprecedented tautomeric equilibrium with its hydride-oxophosphinidene isomer [ Mo2Cp2( A- H) {A- PCy( O)}( CO)(4)](-).

  DOI：

  10.1021/ic061344e