2,6-bis(1'-methylbenzimidazol-2'-yl)pyridinebromotricarbonylrhenium(I) | 210772-66-0

• 英文名称: 2,6-bis(1'-methylbenzimidazol-2'-yl)pyridinebromotricarbonylrhenium(I)
• CAS: 210772-66-0
• 化学式: C₂₄H₁₇BrN₅O₃Re
• 分子量: 689.542
• InChiKey: LXOPMONBIXBIOS-UHFFFAOYSA-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：

  五羰基溴铼(I) 、 2,6-二(1-甲基苯并咪唑-2-基)吡啶 以 甲醇 为溶剂， 以95%的产率得到2,6-bis(1'-methylbenzimidazol-2'-yl)pyridinebromotricarbonylrhenium(I)
  参考文献：
  名称：

  Synthesis and dynamic NMR studies of Rhenium(I) tricarbonyl bromide complexes of benzimidazolylpyridine ligands. Crystal structure of [ReBr(CO)3{2,6-bis(1′,5′,6′-trimethylbenzimidazol-2′-yl)pyridine}]

  摘要：

  Pentacarbonylbromorhenium(I) reacted with 2,6-bis(benzimidazol-2'-yl)pyridine (bbip), 2,6-bis(1'-methylbenzimidazol-2'-yl)pyridine (bmbip), 2,6-bis(5',6'-dimethylbenzimidazol-2'-yl)pyridine (bdmbip), and 2,6-bis(1',5',6'-trimethylbenzimidazol-2'-yl)pyridine (btmbip) to form stable octahedral complexes of type fac[ReBr(CO)(3)L] (L = bbip, bmbip, bdmbip or btmbip) in which L is acting as a bidentate chelate ligand. At above-ambient temperatures in solution the complexes are fluxional with the nitrogen ligand oscillating between equivalent bidentate bonding modes. Rates and activation energies for these fluxions have been investigated by NMR methods. At low temperatures rotation of the uncoordinated benzimidazolyl unit is restricted and for fac-[ReBr(CO)(3)(btmbip)] in CD2Cl2 solution, two preferred rotamers exist in 89:11% relative abundances. A rotational energy barrier has been estimated. The X-ray crystal structure of fac-[ReBr(CO)(3))(btmbip)] confirms the bidentate chelate bonding of btmbip with a N-Re-N angle of 74.2 degrees. The pendant benzimidazole unit is inclined at an angle of 60.7 degrees to the pyridine ring. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00082-5