2,4,5-tribromoimidazolepentaamminecobalt(III) | 782409-73-8

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 芳基卤化物
• 英文名称: 2,4,5-tribromoimidazolepentaamminecobalt(III)
• CAS: 782409-73-8
• 化学式: C₃H₁₆Br₃CoN₇
• 分子量: 448.912
• InChiKey: CCTSRUCCHYWMJA-UHFFFAOYSA-N

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：

  2,4,5-tribromoimidazolepentaamminecobalt(III) 以 水 为溶剂， 生成 五氨合水合钴(III)
  参考文献：
  名称：

  五胺-钴（III）的咪唑配合物的溴化。合成，结构和反应性

  摘要：

  报告了五氨合钴（III）的各种溴咪唑配合物的制备和性质（1 H，13 C NMR光谱； p K a数据）。给出了用于合成和分离相关的甲基咪唑衍生物的改进方法。水解[Co（NH 3）5（tbim）] 2+（tbim = 2,4,5-三溴-咪唑酸酯），得到[Co（NH 3）5（OH 2）] 3+或[Co（NH 3））5（OH）] 2+和2,4,5-Htbim遵循速率方程k obs =（k 1[H + ] + k 2 K a [OH – ]）/（[H + + K a），其中k 1 = 2.07×10 –4 s –1，k 2 = 0.11 dm 3 mol –1 s –1和k在250°C下a = 1.49×10 –2 mol dm –3，I = 1.0 mol dm –3（NaClO 4）；k 1对应于[Co（NH 3）5的自发水解（Htbim）] 3+，和ķ 2与OH -及其共轭碱的反应-催化的。[Co（NH

  DOI：

  10.1039/dt9910003031
• 作为产物：
  描述：

  imidazolepentaamminecobalt(III) tribromide 在 溴 作用下， 以 水 为溶剂， 生成 2,4,5-tribromoimidazolepentaamminecobalt(III) 、
  参考文献：
  名称：

  Bromination of imidazoles coordinated to cobalt(III). Kinetics and mechanism of bromination of RImH3+ systems [R = (NH3)5Co]; Wheland intermediates and preassociation or diffusion control

  摘要：

  The bromination of RImH3+ and several Me- (2-, 3-, 4-, 5-, and 2, 4-) and Br- (4-, 5-, and 4,5-) substituted imidazole complexes of the pentaamminecobalt(III) ion (R = (NH3)5Co3+) has been studied in aqueous solution at 25.0-degrees-C, I = 1.0 or 0.1 M (NaClO4). Reactions are generally fast and result in polybromination when more than one C site is available, even when less than stoichiometric amounts of Br2 are used. Site reactivity order is C-4 > C-5 >> C-2 for both the neutral (11) and anionic (12) ligands. Br2 is a much more powerful electrophile than Br3-. The pH dependence of monobromination is complex for the neutral ligand 11 and suggests proton abstraction from a Wheland addition intermediate (CoHBr) is rate-determining at acidic pHs; both spontaneous and OH(-)-catalyzed pathways are observed. At more neutral pHs, bromine addition becomes rate-determining. Reaction of the anionic ligand 12 is very fast with rate constants up to 3.4 x 10(10) M-1 s-1 (for R-2,4-Me2Im2+). For such species, preassociation with Br2 before proton abstraction is suggested as an alternative mechanism. For R-3-MeIm3+ (N-methyl derivative), reaction via the ammine conjugate base is suggested for the OH(-)-catalyzed reaction. The effects of deuterium substitution and temperature on the reaction rate are discussed.

  DOI：

  10.1021/ja00007a045

文献信息

• Blackman, Allan G.; Buckingham, David A.; Clark, Charles R., Inorganic Chemistry, 1991, vol. 30, # 7, p. 1635 - 1642
  作者：Blackman, Allan G.、Buckingham, David A.、Clark, Charles R.、Simpson, Jim

  DOI：——

  日期：——
• Blackman, Allan G.; Buckingham, David A.; Clark, Charles R., Australian Journal of Chemistry, 1986, vol. 39, # 9, p. 1465 - 1478
  作者：Blackman, Allan G.、Buckingham, David A.、Clark, Charles R.、Kulkarni, Surendra

  DOI：——

  日期：——