2-phthalazin-1-ylhydrazono-propionic acid methyl ester | 56173-19-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 2-phthalazin-1-ylhydrazono-propionic acid methyl ester
• 英文别名: Methyl 2-[2-(1-phthalazinyl)hydrazinylidene]propanoate；methyl 2-(phthalazin-1-ylhydrazinylidene)propanoate
• CAS: 56173-19-4
• 化学式: C₁₂H₁₂N₄O₂
• 分子量: 244.253
• InChiKey: WVRMLKDOAQEVHB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.59
• 重原子数：
  18.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  76.47
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  nickel diacetate 、 2-phthalazin-1-ylhydrazono-propionic acid methyl ester 以 甲醇 为溶剂， 生成
  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

文献信息

• Chelating properties of new series of heterocyclichydrazones. X-ray crystallography and mass spectrometry of their metal complexes
  作者：Gianluca Giorgi、Luisa Savini、Luisa Chiasserini、Cristina Nencini、Cesare Pellerano

  DOI：10.1016/s0277-5387(98)00143-0

  日期：1998.11

  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.