(η(5):η(5)-C5H3CO2Me)2Mo2(CO)5(P(n-Bu)3)2 | 214693-35-3

• 英文名称: (η(5):η(5)-C5H3CO2Me)2Mo2(CO)5(P(n-Bu)3)2
• CAS: 214693-35-3
• 化学式: C₄₃H₆₆Mo₂O₉P₂
• 分子量: 980.819
• InChiKey: FRWRESMYUXICHC-UHFFFAOYSA-N

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：

  三丁基膦 、 (η(5):η(5)-C5H3CO2Me)2Mo2(CO)6 在 Me₃NO 作用下， 以 四氢呋喃 为溶剂， 以92%的产率得到(η(5):η(5)-C5H3CO2Me)2Mo2(CO)5(P(n-Bu)3)2
  参考文献：
  名称：

  New General Synthetic Strategy of Fulvalene Homodinuclear Zwitterions. Electrochemical Behavior of (η:⁵η⁵-(C₅H₃CO₂Me)₂)Mo₂(CO)₆R₂ (R = I, Me)

  摘要：

  The reaction of Li-2[eta(5):eta(5);(C5H3CO2Me)(2))Mo-2(CO)(6)] (from trans-(eta(5):eta(5)-(C5H3CO2Me)(2))Mo-2-(CO)(6)) (1) with MeI yields (eta(5):eta(5)-(C5H3CO2Me)(2))Mo-2(CO)(6)Me-2 (3). The reaction of cis-(eta(5):eta(5)-(C5H3CO2Me)(2))Mo-2(CO)(6) (2) with I-2 leads to the formation of (eta(5):eta(5)-(C5H3CO2Me)(2))Mo-2(CO)(6)I-2 (4). The X-ray structure of 4 has been determined; The reactions of 1 with P-donor nucleophiles (PPhMe2, PPh2Me, P(n-Bu)(3), and PMe3) and (eta(5):eta(5)-(C10H8)M-2(CO)(6) (M = Mo and W) with PMe3, in the presence of 1 equiv of Me3NO, produce CO labilization and formation of the dinuclear zwitterions (eta(5):eta(5)-(C5H3CO2Me)(2))Mo-2(CO)(5)L-2 and (eta(5):eta(5)-(C10H8)M-2(CO)(5)(PMe3)(2) (M = Mo and W) 5, 6, 7, 8, 9, and 10, respectively). The dimer [(eta(5)-C5H4CO2Me)Mo(CO)(3)](2) (11) was obtained by reaction of Mo(CO)(6) with sodium carbomethoxy cyclopentadienide in THF followed by oxidation with ferric sulfate. The reaction of 11 with PPh2Me in the presence of 1 equiv of Me3NO gives the disproportionation species [(eta(5)-C5H4CO2Me)Mo(CO)(2)(PPh2Me)(2)(+)][eta(5)-C5H4CO2Me)Mo(CO)(3)(-)] (12). The electrochemical study of 3 and 4 is reported. Two distinct cathodic waves are observed in the voltammetric reduction of 4, the less negative one with a coupled anodic peak at high sweep rate in PC.

  DOI：

  10.1021/om980269f