trans-[Co(dimethylglyoximate)2(Me)(pyrazole)] | 38141-82-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: trans-[Co(dimethylglyoximate)2(Me)(pyrazole)]
• CAS: 38141-82-1
• 化学式: C₁₂H₂₁CoN₆O₄
• 分子量: 372.33
• InChiKey: POCKBODQAHZEEN-KMGPWXGDSA-L

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：
  None

反应信息

• 作为产物：
  描述：

  吡唑 、 aquamethylcobaloxime 在 NaClO₄ 作用下， 以 水 为溶剂， 生成 trans-[Co(dimethylglyoximate)2(Me)(pyrazole)]
  参考文献：
  名称：

  Mechanistic Elucidation of the Substitution Behavior of Alkyl Cobaloximes in Water and Methanol as Solvents

  摘要：

  The ligand substitution behavior of trans-[Co(HdMg)(2)(R)S] (R = CH3, PhCH2; Hdmg = dimethylglyoximate; S = H2O and/or MeOH) was studied for imidazole, pyrazole, 1,2,4-triazole, N-acetylimidazole, 5-chloro-1-methylimidazole, NO2-, Ph3P, Ph3As, and Ph3Sb as entering ligands. In all cases, except for Ph3As and Ph3Sb, the observed kinetics shows a linear dependence on the entering nucleophile concentration with no evidence for a back reaction. In the case of Ph3As and Ph3Sb as entering nucleophiles, kinetic evidence for a reverse solvolysis reaction is at hand. Activation parameters (DeltaH(+), DeltaS(+), and DeltaV(+)) were determined from the temperature and pressure dependence of all studied reactions and support the operation of a dissociatively activated substitution mechanism. The rate and activation parameters show that there is an increase in the dissociative character from a dissociative interchange to a limiting dissociative mechanism that depends on the nature of R and the entering nucleophile. The crystal structure of trans-[Co(en)(2)(Me)H2O](2+) was determined by X-ray analysis. The Co-O and Co-C bond lengths were found to be 2.153(6) and 1.995(10) Angstrom, respectively. The kinetic and structural data are discussed in reference to a series of earlier studied systems for which data are reported in the literature.

  DOI：

  10.1021/ic049761j