[(N-methylimidazole)(N(2),N(2')-propanediylbis(2,3-butanodione 2-imine 3-oximate)(1-))(4-MeC6H4SO2)]PF6 | 185690-80-6

• 英文名称: [(N-methylimidazole)(N(2),N(2')-propanediylbis(2,3-butanodione 2-imine 3-oximate)(1-))(4-MeC6H4SO2)]PF6
• CAS: 185690-80-6
• 化学式: C₂₂H₃₂CoN₆O₄S*F₆P
• 分子量: 680.557
• InChiKey: PYZMXIWYUUKNTM-CRINYOSQSA-M

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：
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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：

  sodium p-toluenesulfinate tetrahydrate 、 [(N-methylimidazole)(N(2),N(2')-propanediylbis(2,3-butanodione 2-imine 3-oximate)(1-))Cl]PF6 以 甲醇 为溶剂， 以62%的产率得到[(N-methylimidazole)(N(2),N(2')-propanediylbis(2,3-butanodione 2-imine 3-oximate)(1-))(4-MeC6H4SO2)]PF6
  参考文献：
  名称：

  The First X-ray Structural Evidence Demonstrating Thiolate Coordination in an Organocobalt B₁₂ Model Complex:  Implications for Methionine Synthase

  摘要：

  Enzyme-bound methyl-B-12 transfers its methyl group to homocysteine during methionine synthesis. However, treatment of several types of organocobalt B-12 models with arene- and alkanethiolates under ambient conditions leads only to thiolate ligation. The structure of [AsPh(4)][EtSCo(DH)(2)CH3] (DH = monoanion of dimethylglyoxime), the first characterization by X-ray crystallography of an organocobalt complex containing a unidentate coordinated thiolate, demonstrates unambiguously the S-ligation of ethanethiolate to Co, trans to the CH3 ligand. This compound contains a very long Co-S bond (2.342(2) Angstrom). However, the length of the Co-C bond (2.005(7) Angstrom) is typical; this result strongly supports reported FT-Raman spectroscopic data indicating that the thiolate-type ligand does not have a strong trans influence and does not significantly weaken the Co-C bond in the ground state. Since a strong trans influence alkyl ligand weakens the trans Co-C bond, we examined the effect of EtS(-) on Co((DO)(DOH)pn)(CH3)(2) ((DO)(DOH)pn = N-2,N-2'-propanediylbis(2,3-butanedione 2-imine 3-oxime) is an imine/oxime quadridentate ligand]. Even for this compound, no attack on the Co-C bond was observed, although independently synthesized EtSCo((DO)DOH)pn)CH3 was stable. Furthermore, thiolate did not cleave the Co-C bond of an organocobalt complex with a highly distorted Co-C group. Several new spectroscopic and ligand-exchange reactions were observed in this study. Ligand-responsive NMR shift trends in these other new complexes also indicate that thiolate ligands have a weak trans influence.

  DOI：

  10.1021/ic961019z