2-methylamino-5-pyridin-2-yl-1,3,4-oxadiazole | 769112-73-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-methylamino-5-pyridin-2-yl-1,3,4-oxadiazole
• 英文别名: N-methyl-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
• CAS: 769112-73-4
• 化学式: C₈H₈N₄O
• 分子量: 176.178
• InChiKey: MAHBHFKQHHSXDZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  63.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  copper(II) nitrate 、 2-methylamino-5-pyridin-2-yl-1,3,4-oxadiazole 以 水 为溶剂， 以43%的产率得到
  参考文献：
  名称：

  Synthesis, crystal structure and spectroscopic properties of copper(II) complexes derived from 2-methylamino-5-pyridin-2-yl-1,3,4-oxadiazole

  摘要：

  Two new complexes with the formulae [Cu(L)(oxalatoo)(H2O)] . H2O (1) and [Cu(L)(2)(H2O)(2)](NO3)(2) (2), where L = (C8H8N4O) = 2-methylamino-5-pyridin-2-yl-1,3,4-oxadiazole, have been synthesized and characterized. The structure of compound I contains monomeric entities in which the copper(II) ions exhibit five-coordinate square-pyramidal geometry. The oxadiazole bidentate ligand links to the metal ion through the N-pyridine and one of the N-oxadiazole atoms. Two oxygen atoms from the oxalato ligand complete the basal positions. The oxygen atom of a water molecule occupies the apical one. Solvation water molecules are also present in the lattice. The structure of compound 2 consists of monomeric distorted octahedral copper(II) species. The copper(II) ions are coordinated to both bidentate oxadiazole ligands in the equatorial plane, with the two oxygen atoms of both water molecules placed in the axial positions. Nitrate groups act as counterions. The presence of pi-pi stacking interactions interconnecting the monomeric entities in both complexes is discussed. The EPR spectra of compounds 1 and 2 show axial symmetries. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01177-4
• 作为产物：
  描述：

  在 potassium bromate 、 potassium hexacyanoferrate(III) 作用下， 以 水 为溶剂， 生成 2-methylamino-5-pyridin-2-yl-1,3,4-oxadiazole
  参考文献：
  名称：

  新的 1,3,4-恶二唑铜 (II) 衍生物从硫缩脲配合物获得

  摘要：

  Pyridine-2-carbaldehyde thiosemicarbazone 和pyridine-2-carbaldehyde 4N-methyl thiosemicarbazone 配体（分别为 HLI 和 HLImm）在用溴酸盐或碘酸盐处理时发生氧化环化，生成 2-amino-5-pyridin-2-yl-1， 3,4-oxadiazole 和 2-methylamino-5-pyridin-2-yl-1,3,4-oxadiazole (HLII 和 HLIImm)。该反应发生在游离配体或与铜 (II) 配位时。一些起始([{Cu(LImm)(NO3)}2] (3)，中间Cu(LI)(IO3)·(H2O) (1)，[{Cu(LI)I}2] (2) , [{Cu(LImm)Br}2] (4), 和最终化合物 [{Cu(HLII)(H2O)3}2](SO4)2 (5), [{Cu(HLIImm)(H2O)2(

  DOI：

  10.1002/ejic.200200689