N-(2-benzothiazolyl)-N'-(methylmethoxycarbonyl)hydrazine | 205246-58-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 英文名称: N-(2-benzothiazolyl)-N'-(methylmethoxycarbonyl)hydrazine
• 英文别名: methyl 2-(1,3-benzothiazol-2-ylhydrazinylidene)propanoate
• CAS: 205246-58-8
• 化学式: C₁₁H₁₁N₃O₂S
• 分子量: 249.293
• InChiKey: SOCQSNIXVVEIQB-UHFFFAOYSA-N

物化性质

• 沸点：
  366.6±25.0 °C(Predicted)
• 密度：
  1.35±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.26
• 重原子数：
  17.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  63.58
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  N-(2-benzothiazolyl)-N'-(methylmethoxycarbonyl)hydrazine 、 nickel diacetate 以 甲醇 为溶剂， 生成 bis[N-(2-benzothiazolyl)-N'-(methylmethoxycarbonyl)hydrazine]nickel(II)
  参考文献：
  名称：

  Chelating properties of new series of heterocyclichydrazones. X-ray crystallography and mass spectrometry of their metal complexes

  摘要：

  The chelating properties of a new series of alpha:-N-heterocyclichydrazones (heterocycle = substituted quinoline, benzothiazole, phthalazine) have been studied. Nickel complexes have been synthesized and structurally characterized in the gas phase by mass spectrometry and tandem mass spectrometry, and in the solid state by x-ray crystallography. Each ligand (LH) acts as tridentate and it undergoes a deprotonation in the complex formation. The complexes are neutral species and they can be formulated as [ML2]. The crystal structure of bis[N-(2-benzothiazolyl)-N'-(methlymethoxycarbonyl)hydrazine]nickel(II) x 0.5 H2O has been determined. The metal shows a pseudo-octahedral polyhedron and it is coordinated to two nitrogen and to oxygen atoms in the equatorial plane, and to two hydrazone nitrogen atoms in the axial positions. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(98)00143-0