[(η(5)-C5H5)Mo(C6H3-(F)-5-CH2NMe2-2)(I)(NO)] | 167031-71-2

• 英文名称: [(η(5)-C5H5)Mo(C6H3-(F)-5-CH2NMe2-2)(I)(NO)]
• CAS: 167031-71-2
• 化学式: C₁₄H₁₆FIMoN₂O
• 分子量: 470.137
• InChiKey: NKLIYIVEVXLJKC-UHFFFAOYSA-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

• 作为产物：
  描述：

  [((η(5)-C5H5)Mo(μ-I)(I)(NO))2] 、 Hg(C6H3-3-F-6-CH2NMe2)2 以 二氯甲烷 为溶剂， 以94%的产率得到[(η(5)-C5H5)Mo(C6H3-(F)-5-CH2NMe2-2)(I)(NO)]
  参考文献：
  名称：

  Synthesis and characterization of asymmetric C,N-cyclometallated complexes of Mo(II). X-ray crystal structures of [η5-C5H5)MoC6H2-(OCH2O)-2,3-CH2NMe2-6(I)(NO)] and [(η5-C5H5)MoS-C6H4CH(Me)NMe2-2(I)(NO)]

  摘要：

  The reaction of {(eta(5)-C5H5)Mo(mu-I)(I)(NO)}(2)] with the Hg derivatives of substituted N,N-dimethylbenzylamines [Hg(Q dmba)(2)] (HQ = substituted N,N-dimethylbenzylamine affords the organomolybdenum complexes [(eta(5)-C5H5)Mo(Qdmba)(I)(NO)] (2a-2e) in nearly quantitative yield as a racemic mixture of both enantiomers. When the reaction is carried out with Hg{S-C6H4C(H)(Me)NMe(2)}(2), a 1:1 mixture of both diastereoisomers [(eta(5)-C5H5)Mo{S-C6H4C(H)(Me)NMe(2)-2}(I)(NO)] (2f-2g) is obtained. The resolution of this mixture can be accomplished by fractional crystallization in CH2Cl2/hexane. The X-ray crystal structure of the complexes (SPY-5-15-A,C)-[(eta(5)-C5H5)Mo{C6H2-(OCH2O)-2,3-CH(2)NMe(2)-6}(I)(NO)] (2b) and (SPY-5-15-C)-[(eta(5)-C5H5)Mo{S-C6H4C(H)(Me)NMe(2)-2}(I)(NO)] (2f) are reported.

  DOI：

  10.1016/0022-328x(95)05429-s