{(cyclopentadienyl)Mo(CO)2(η4-cyclopentadiene)}BF4 | 119970-62-6

• 英文名称: {(cyclopentadienyl)Mo(CO)2(η4-cyclopentadiene)}BF4
• 英文别名: [(η(5)-C5H5)Mo(η(4)-C5H6)(CO)2]BF4；[(C5H5)Mo(η(4)-C5H6)(CO)2]BF4；[(η4-cyclopentadiene)(η5-cyclopentadienyl)Mo(CO)2]
• CAS: 119970-62-6
• 化学式: BF₄*C₁₂H₁₁MoO₂
• 分子量: 369.963
• InChiKey: MNLZENWZJSFEMY-UHFFFAOYSA-N

计算性质

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

• 作为反应物：
  描述：

  {(cyclopentadienyl)Mo(CO)2(η4-cyclopentadiene)}BF4 以 二氯甲烷 、 氯仿 为溶剂， 以98%的产率得到{(cyclopentadienyl)Cl(carbonyl)molybdenum}(BF4)
  参考文献：
  名称：

  Ascenso, José R.; De Azevedo, Cristina G.; Gonçalves, Isabel S., Organometallics, 1994, vol. 13, # 2, p. 429 - 431

  摘要：

  DOI：
• 作为产物：
  描述：

  [(η3-C3H5)Mo(CO)2(NCMe)3][BF4] 、 环戊二烯 以 二氯甲烷 为溶剂， 以86%的产率得到{(cyclopentadienyl)Mo(CO)2(η4-cyclopentadiene)}BF4
  参考文献：
  名称：

  取代对烯丙基环戊二烯基钼（II）化合物质子化的影响

  摘要：

  合成，表征，和新的环戊二烯基烯丙基钼的反应（II）的化合物[（η 3 -C 3 H ^ 4 - [R 1）（η 5 -C 5 H ^ 3（R 2）2）的Mo（CO）2 ]（R 1 = H，COOMe； R 2 = COOMe，CONH t Bu）。虽然这些化合物是[（η的结构类似物3 -C 3 H ^ 5）（η 5 -Cp）的Mo（CO）2 ]，它们的反应性非常不同的。尽管质子化[（η 3 -C 3ħ 5）（η 5 -Cp）的Mo（CO）2 ]给出的阳离子性的环戊二烯基配合物，所呈现的化合物给予阳离子烯丙基配合物[（η 3 -C 3 H ^ 4 R）的Mo（CO）2（NCMe）3 ] [ BF 4 ]（R = H，COOMe）或稳定的阳离子烯丙基环戊二烯基络合物。理论计算表明，这种行为是环戊二烯基配体中的官能团对质子化具有高度亲和力的结果。

  DOI：

  10.1021/om2010244

文献信息

• Ascenso, José R.; De Azevedo, Cristina G.; Gonçalves, Isabel S., Organometallics, 1995, vol. 14, # 8, p. 3901 - 3919
  作者：Ascenso, José R.、De Azevedo, Cristina G.、Gonçalves, Isabel S.、Herdtweck, Eberhardt、Moreno, Domitília S.、Pessanha, Miguel、Romão, Carlos C.

  DOI：——

  日期：——
• Nucleophilic and electrophilic reactions of C5 cyclo-polyenes coordinated to the [CpMoL2]n+ fragment (n = 1,2; L = 1/2dppe, PMe3, P(OMe)3, CO)
  作者：Cristina G. de Azevedo、Maria J. Calhorda、M.A.A.F. de C.T. Carrondo、Alberto R. Dias、M. Teresa Duarte、Adelino M. Galvão、Carla A. Gamelas、Isabel S. Gonçalves、Fátima M. da Piedade、Carlos C. Romão

  DOI：10.1016/s0022-328x(97)00331-8

  日期：1997.10

  Reaction of several nucleophiles (R-) with the dications [Cp2MoL2](2+) (L = CO, PMe3, dppe) produces the cyclopentadiene complexes [CPMo(eta(4)-C5H5R)L-2](+) (L = dppe, R = H, CH3, CH2CN, CH2PPh3, SMe; L = CO, R = H, CH3, SPh, PMe3; L = PMe3, R = H). Excess nucleophiles only produces regio and stereospecific double addition to one Cp ring in the case of H-forming CpMo(eta(3)-C5H7)L-2 (L = CO, PMe3, dppe). [CpMo(eta(4)-C5H6)L-2](+) reacts with LiCuMe2 to give CpMo(eta(3)-C5H6Me)L-2 (L = dppe, CO) and [Cp'Mo(eta(4)-C5H6)(CO)(2)](+) reacts with NaSPh and PMe3 to give Cp'Mo(eta(3)-C5H6SPh)(CO)(2) (Cp' = Cp, indenyl) and [CpMo(eta(3)-C5H6PMe3)(CO)(2)]BF4 respectively. The structure of the exclusively formed conformers endo-[CpMo(eta(4)-C5H6)(dppe)]PF6 and endo-CpMo(eta(3)-C5H7)(dppe) was determined by NMR and X-ray crystallography and analyzed by EHMO calculations. The reverse H- abstractions from [CpMo(eta(4)-C5H6)L-2](+) and CpMo(eta(3)-C5H7)L-2 with Ph3C+ are specific in all cases except for CpMo(eta(3)-C5H7)(dppe) which gives oxidative decomposition to [Cp2Mo(dppe)]L-2 and [CpMo(dppe)(2)](2+). All the complexes [CpMo(eta(4)-C5H5R)L-2](+) and CpMo(eta(3)-C5H7)L-2 (L = CO, PMe3, dppe) as well as their C6 ring congeners [CpMo(eta(4)-C6H8)(CO)(2)](+) and CpMo(eta(3)-C6H9)(CO)(2) have irreversible cyclovoltammograms. Nucleophilic attacks of Me3NO/NCMe and PMe3 to [CpMo(eta(4)- C6H8)(CO)(2)](+) gave [CpMo(eta(4)-C6H8)(NCMe)(2)]BF4 and [CpMo(eta(3)-C6H8PMe3)(CO)(2)]BF4 respectively. Both were crystallographically characterized. (C) 1997 Elsevier Science S.A.
• Mueller, Hans-Joachim; Nagel, Ulrich; Steimann, Manfred, Chemische Berichte, 1989, vol. 122, p. 1387 - 1394
  作者：Mueller, Hans-Joachim、Nagel, Ulrich、Steimann, Manfred、Polborn, Kurt、Beck, Wolfgang

  DOI：——

  日期：——