(2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-tert-butyl)phenylcorrolato)copper | 1287673-91-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四吡咯及其衍生物
• 英文名称: (2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-tert-butyl)phenylcorrolato)copper
• CAS: 1287673-91-9
• 化学式: C₄₉H₃₉Br₈CuN₄
• 分子量: 1386.65
• InChiKey: URZSZTRHHJJBPP-ZKXZEECVSA-N

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：
  None
• 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：
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反应信息

• 作为反应物：
  描述：

  1,1,1,3,3,3-六氟异丙基丙烯酸酯 、 (2,3,7,8,12,13,17,18-octabromo-5,10,15-tris(4-tert-butyl)phenylcorrolato)copper 在 palladium diacetate 、 potassium carbonate 、 三苯基膦 作用下， 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 72.0h， 以24%的产率得到[5,10,15-tris(4-tert-butylphenyl)-2:3,7:8,12:13,17:18-tetrabenzo-2″,3″,7″,8″,12″,13″,17″,18″-octaphenylcorrolato]Cu(III)
  参考文献：
  名称：

  Synthesis and Characterization of Functionalized meso-Triaryltetrabenzocorroles

  摘要：

  5,10,15-Triaryltetrabenzocorroles functionalized with different electron-withdrawing groups on the beta,beta'-fused rings have been prepared by a cross coupling Heck procedure between octabrominated copper corrole and a terminal alkene bearing electron withdrawing moieties. The spectroscopic characterization of these complexes showed red-shifted UV-vis absorption bands characterized by a significant band broadening. The same feature was observed in the case of NMR spectra, where low-resolution groups of signals were observed. This behavior derives from a strong tendency of these macrocycles to aggregate in solution, as has been demonstrated by an H-1 NMR study performed on one of these tetrabenzocorroles. The influence of the substituents on the fused benzene ring on the properties of the tetrabenzocorroles was investigated by electrochemistry and spectroelectrochemistry, and comparisons were made between properties of the newly synthesized compounds and those of the tetrabenzocorroles reported earlier in the literature.

  DOI：

  10.1021/ic4010467

文献信息

• Synthetic Routes to 5,10,15-Triaryl-tetrabenzocorroles
  作者：Giuseppe Pomarico、Sara Nardis、Roberto Paolesse、Owendi C. Ongayi、Brandy H. Courtney、Frank R. Fronczek、Maria Graça H. Vicente

  DOI：10.1021/jo200026u

  日期：2011.5.20

  Two different synthetic routes for the preparation of 5,10,15-triaryl-tetrabenzocorroles have been developed. The first approach is based on the condensation of a tetrahydroisoindole with aryl-aldehydes, and the second pathway involves a cross-coupling reaction between a bromo-substituted corrole and a suitable substrate to form the four beta-fused aryl rings. These routes are successful to lead to the target tetrabenzocorroles, obtained in both cases as the corresponding Cu complex and with the highest yield obtained via the one-step cross-coupling methodology. Demetalation of the Cu-tetrabenzocorrole produces the corresponding free base; this macrocycle was further exploited to obtain the Sn and Co complexes in good yields.