| 1536167-92-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• CAS: 1536167-92-6
• 化学式: C₃₈H₅₇N₅Zn
• 分子量: 649.294
• InChiKey: QTGNNCASBDZGHQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  以 苯 为溶剂， 反应 0.33h， 以86%的产率得到
  参考文献：
  名称：

  Probing the Steric and Electronic Characteristics of a New Bis-Pyrrolide Pincer Ligand

  摘要：

  A new pincer ligand is synthesized to be dianionic, with the potential to be redox active. It has pyrrrole rings attached to both ortho sites of a pyridine, as the linking element. This H2L, can be doubly deprotonated and then used to replace two chloride ligands in MCl2(NCPh)(2), to form LM(NCPh) for M = Pd, Pt. The acid form H2L reacts with ZnEt2 with elimination of only 1 mol of ethane to yield (HL)ZnEt, a three-coordinate species with one pendant pyrrole NH functionality. This molecule binds the Lewis base p-dimethylaminopyridine (DMAP) to give first a simple 1:1 adduct that eliminates ethane on heating to form four-coordinate LZn(DMAP), which has an unusual structure due to the strong preference of the pincer ligand to bind in a mer (planar) geometry. A molecule with two HL- ligands each bonded in a bidentate manner to FeCl2 is synthesized and shown to contain four-coordinate iron with a flattened-tetrahedral structure. The electrochemistry of LM(NCPh) and (L)Zn(DMAP) shows three oxidation processes, which is interpreted to involve at least two oxidations of the pyrrolide arms;

  DOI：

  10.1021/ic402120r
• 作为产物：
  描述：

  2,6-双（氨基甲基）吡啶 在 对甲苯磺酸 作用下， 以 乙醚 、 氘代苯 、 均三甲苯 、 苯 为溶剂， 反应 96.5h， 生成
  参考文献：
  名称：

  Probing the Steric and Electronic Characteristics of a New Bis-Pyrrolide Pincer Ligand

  摘要：

  A new pincer ligand is synthesized to be dianionic, with the potential to be redox active. It has pyrrrole rings attached to both ortho sites of a pyridine, as the linking element. This H2L, can be doubly deprotonated and then used to replace two chloride ligands in MCl2(NCPh)(2), to form LM(NCPh) for M = Pd, Pt. The acid form H2L reacts with ZnEt2 with elimination of only 1 mol of ethane to yield (HL)ZnEt, a three-coordinate species with one pendant pyrrole NH functionality. This molecule binds the Lewis base p-dimethylaminopyridine (DMAP) to give first a simple 1:1 adduct that eliminates ethane on heating to form four-coordinate LZn(DMAP), which has an unusual structure due to the strong preference of the pincer ligand to bind in a mer (planar) geometry. A molecule with two HL- ligands each bonded in a bidentate manner to FeCl2 is synthesized and shown to contain four-coordinate iron with a flattened-tetrahedral structure. The electrochemistry of LM(NCPh) and (L)Zn(DMAP) shows three oxidation processes, which is interpreted to involve at least two oxidations of the pyrrolide arms;

  DOI：

  10.1021/ic402120r