Mo(acetonitrile)2(η3-C3H4(CH3))(CO)2Br | 526209-98-3

• 英文名称: Mo(acetonitrile)2(η3-C3H4(CH3))(CO)2Br
• CAS: 526209-98-3
• 化学式: C₁₀H₁₃BrMoN₂O₂
• 分子量: 369.069
• InChiKey: GGEADVAOYTUEOE-ZBVLQZEBSA-M

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

• 作为反应物：
  描述：

  吡咯烷二硫代甲酸铵盐 、 Mo(acetonitrile)2(η3-C3H4(CH3))(CO)2Br 以 甲醇 为溶剂， 以88%的产率得到(η3-crotyl)(dicarbonyl)(η2-pyrolidinyldithiocarbamate)molybdenum(II)
  参考文献：
  名称：

  Syntheses, spectroscopy and fluxional behavior of the η3-crotyl, C3H4(CH3), pyrolidinyldithiocarbamate molybdenum complexes: crystal structure of exo-[Mo{η3-C3H4(CH3)}(η2-S2CNC4H8)(CO)(η2-dppm)]

  摘要：

  The endo- and exo-complexes [Mo{eta(3)-C3H4(CH3)}(eta(2)-S2CNC4H8)(CO)(eta(2)-diphos)] (diphos: dppm = {bis(diphenylphosphino)methane} (2): dppe = {1.2-bis(diphenylphosphino)ethane} (3) are prepared by reacting the 16-electron complex [Mo{eta(3)- C3H4(CH3)}(eta(2)-S2CNC4H8)(CO)(2)] (1) with diphos in refluxing acetonitrile. The orientations of endo and exo are defined in such a way that the open face of the allyl group and carbonyl group are in the same direction in the former and in the opposite direction in the latter. The variable temperature H-1 NMR was used to confirm that there was no allyl rotation behavior of endo left right arrow exo interconversion of 2 before the thermal decomposition. X-ray crystal structure of exo-2 has been employed to elucidate the exo orientation and the methyl moiety of the allyl ligand is found to orient away from the dppm ligand. (C) 2003 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(03)00045-8