bis(2,4-dimethylimidazole)(5,10,15,20-tetraphenylporphyrinato)cobalt(III) chloride | 1357174-69-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: bis(2,4-dimethylimidazole)(5,10,15,20-tetraphenylporphyrinato)cobalt(III) chloride
• CAS: 1357174-69-6
• 化学式: C₅₄H₄₄CoN₈*Cl
• 分子量: 899.443
• InChiKey: DWWCTMRPNSURMR-GVHKZQBISA-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：

  2,4-二甲基咪唑 、 [5,10,15,20-tetraphenylporphyrin]cobalt(III) chloride 以 二氯甲烷 为溶剂， 反应 16.0h， 以88%的产率得到bis(2,4-dimethylimidazole)(5,10,15,20-tetraphenylporphyrinato)cobalt(III) chloride
  参考文献：
  名称：

  N-Heterocyclic carbene bonding to cobalt porphyrin complexes

  摘要：

  N-Heterocyclic carbene (NHC) coordination to a cobalt(III) center embedded in a porphyrin scaffold has been accomplished by decarboxylation from N,N'-dimethylimidazolium-2-carboxylate in the presence of Co(TPP)Cl (TPP = 5,10,15,20-tetraphenylporphyrin). The distal chloride ligand in the resulting complex Co(NHC)(TPP)Cl was successfully substituted with imidazoles and alcohols. Single crystal X-ray diffraction of the latter complexes Co(NHC)(TPP)(ROH) (R = Me, Et) revealed a pronounced ruffling of the porphyrin macrocycle due to the two ortho methyl groups in the carbene ligand and because of the relatively short distance between the cobalt center and the carbene ligand. Spectroscopic investigations support a substantial porphyrin dearomatization upon NHC bonding. (C) 2011 Elsevier B. V. All rights reserved.

  DOI：

  10.1016/j.ica.2011.08.039