(η(5)-C5H5)MoO2(CH2CH3) | 176906-94-8

• 英文名称: (η(5)-C5H5)MoO2(CH2CH3)
• CAS: 176906-94-8
• 化学式: C₇H₁₀MoO₂
• 分子量: 222.095
• InChiKey: NNCPMDMRJXDSPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  η5-cyclopentadienylethyldinitrosyl molybdenum (1-) 、 氧气 以 二氯甲烷 为溶剂， 以47%的产率得到(η(5)-C5H5)MoO2(CH2CH3)
  参考文献：
  名称：

  Structure and Reactivity of (η-C₅R₅)Mo(NO)₂−Halide, −Halomethyl, and −Alkyl Complexes:  Consecutive Aerobic Methylene and Nitrosyl Ligand Oxidation

  摘要：

  Cp'Mo(NO)(2)(CH(2)X) complexes are isolated in 80-90% yield after the treatment of the Cp'Mo(NO)(2)X complexes in CH2Cl2 with ethereal diazomethane in the presence of Cu powder (Cp' = eta-C5H5 (CP), eta-C-5(CH3)(5)(Cp*); X = Cl, Br). The Cp'Mo(NO)(2)(CH2I) derivatives are obtained in over 90% yield by treating the Cp'Mo(NO)(2)(CH2Cl) derivatives with NaI in THF. Four new halomethyl complexes have been characterized by X-ray crystallography and are compared to the related CpMo(NO)(2)Br, Cp*Mo(NO)(2)Cl, and Cp*Mo(NO)(2)(CH3) derivatives. The structural data and IR data indicate the donor properties of the halomethyl ligands to be intermediate between halide and alkyl ligands. The Cp'Mo(NO)(2)(CH(2)X) complexes react initially with O-2 to give CH2O and the regeneration of the parent Cp'Mo(NO)(2)X complexes. The Cp'Mo(NO)(2)Cl complexes react with O-2 after an induction period to give the well-known Cp'MoO2Cl complexes, NO2, NOCl, and N2O. Exposure of CpCr(NO)(2)(CH(CH3)Br) to O-18(2) gives O-18=CH(CH3) and O-16-labeled CpCr(NO)(2)Br. The Cp'Mo(NO)(2)-alkyl complexes react with O-2 to give the corresponding Cp'MoO2-alkyl derivatives in 40-70% yield (alkyl = CH3, CH2CH3). Electrochemical data show the Mo complexes to oxidize at 0.2-0.3 V lower than the Cr congeners.

  DOI：

  10.1021/om960028c