diethylenetriamine-N,N,N',N',N''-pentakis(2-methylbenzimidazolyl)pentaamide | 1193362-27-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: diethylenetriamine-N,N,N',N',N''-pentakis(2-methylbenzimidazolyl)pentaamide
• 英文别名: GBDTPA；N-(1H-benzimidazol-2-ylmethyl)-2-[bis[2-[bis[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]amino]ethyl]amino]acetamide
• CAS: 1193362-27-4
• 化学式: C₅₄H₅₈N₁₈O₅
• 分子量: 1039.17
• InChiKey: XMGZIXKKEREHFS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  77
• 可旋转键数：
  26
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  299
• 氢给体数：
  10
• 氢受体数：
  13

反应信息

• 作为反应物：
  描述：

  manganese (II) nitrate tetrahydrate 、 diethylenetriamine-N,N,N',N',N''-pentakis(2-methylbenzimidazolyl)pentaamide 以 甲醇 为溶剂， 生成 Mn2(diethylenetriamine-N,N,N',N',N''-pentakis(2-methylbenzimidazolyl)pentaamide)(NO3)4
  参考文献：
  名称：

  Oxidation of alcohols using a manganese (II) complex based on a pentakis benzimidazole amide ligand

  摘要：

  A pentakis benzimidazole based penta-amide ligand diethylenetriamine-N,N,N',N',N ''-pentakis(2-methyl benzimidazolyl)penta-amide [GBDTPA] has been synthesized and utilized to prepare Mn (II) complexes of general composition [Mn-2(GBDTPA)X-4], where X is an exogenous anionic ligand (X=Cl-, NO3- and Br-). The oxidation of alcohols has been investigated using [Mn-2(GBDTPA)Cl-4] as the catalyst and TBHP as an alternate source of oxygen. The respective aldehydic products have been isolated and characterized by H-1 NMR. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.07.001
• 作为产物：
  描述：

  二乙烯三胺五醋酸 、 2-(aminomethyl)benzimidazole dihydrochloride 在 吡啶 、 磷酸三苯酯 作用下， 反应 0.17h， 生成 diethylenetriamine-N,N,N',N',N''-pentakis(2-methylbenzimidazolyl)pentaamide
  参考文献：
  名称：

  Oxidation of alcohols using a manganese (II) complex based on a pentakis benzimidazole amide ligand

  摘要：

  A pentakis benzimidazole based penta-amide ligand diethylenetriamine-N,N,N',N',N ''-pentakis(2-methyl benzimidazolyl)penta-amide [GBDTPA] has been synthesized and utilized to prepare Mn (II) complexes of general composition [Mn-2(GBDTPA)X-4], where X is an exogenous anionic ligand (X=Cl-, NO3- and Br-). The oxidation of alcohols has been investigated using [Mn-2(GBDTPA)Cl-4] as the catalyst and TBHP as an alternate source of oxygen. The respective aldehydic products have been isolated and characterized by H-1 NMR. (C) 2009 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.saa.2009.07.001

文献信息

• Oxidation of alcohols using a manganese (II) complex based on a pentakis benzimidazole amide ligand
  作者：Manisha Singla、Pavan Mathur

  DOI：10.1016/j.saa.2009.07.001

  日期：2009.10

  A pentakis benzimidazole based penta-amide ligand diethylenetriamine-N,N,N',N',N ''-pentakis(2-methyl benzimidazolyl)penta-amide [GBDTPA] has been synthesized and utilized to prepare Mn (II) complexes of general composition [Mn-2(GBDTPA)X-4], where X is an exogenous anionic ligand (X=Cl-, NO3- and Br-). The oxidation of alcohols has been investigated using [Mn-2(GBDTPA)Cl-4] as the catalyst and TBHP as an alternate source of oxygen. The respective aldehydic products have been isolated and characterized by H-1 NMR. (C) 2009 Elsevier B.V. All rights reserved.