| 131933-07-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 131933-07-8
• 化学式: C₄H₁₆CrN₂O₅
• 分子量: 224.177
• InChiKey: YOYWHCGVEROBFX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  、 以 高氯酸 为溶剂， 生成 hexaquochromium(II) 、 4-Methylimidazolium cation
  参考文献：
  名称：

  Preparation of a series of (imidazole)pentaaquachromium(III) complexes and kinetics of their reduction by 1-hydroxy-1-methylethyl radicals

  摘要：

  A series of (imidazole) pentaaquachromium(III) complexes, (H2O)5Cr(Im-X,Y)3+ were prepared and characterized in acidic aqueous solution. These complexes are reduced by .C(CH3)2OH radicals with rate constants that vary with substituents on the imidazole ring. At 25-degrees-C the values of the rate constants, k/10(5) L mol-1 s-1 (X, Y), are 1.1 (1-CH3, H), 2.1 (2-CH3, H), 3.8 (4-CH3, H), 6.6 (H, H), 7.2 (4-CH3, 5-CONH2), and 16 (4-Cl, 5-Cl). A mechanism is proposed whereby the initial electron transfer takes place at coordinated imidazole, followed by a rapid intramolecular electron transfer to yield Cr(H2O)6(2+) and X,Y-ImH+.

  DOI：

  10.1021/ic00003a024