2,3-dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate | 71579-89-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3-dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate
• 英文别名: N'-[(E)-(2,3-dimethoxyphenyl)methylidene]isonicotinohydrazide；N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]pyridine-4-carboxamide
• CAS: 71579-89-0
• 化学式: C₁₅H₁₅N₃O₃
• 分子量: 285.302
• InChiKey: PEDGLJHLSKSDOC-LICLKQGHSA-N

物化性质

• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933399090

反应信息

• 作为产物：
  描述：

  异烟肼 、 2,3-二甲氧基苯甲醛 以 乙醇 、 水 为溶剂， 以90%的产率得到2,3-dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate
  参考文献：
  名称：

  2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, and the mono- and dihydrates of 3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone: hydrogen-bonded supramolecular structures in one, two and three dimensions

  摘要：

  In 2,3-dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, C15H15N3O3 center dot CHCl3, the hydrazone molecules are linked by a combination of N-H center dot center dot center dot N and C-H center dot center dot center dot N hydrogen bonds into chains from which the chloroform molecules are pendent. 3,4,5-Trimethoxybenzaldehyde isonicotinoylhydrazone forms two stoichiometric hydrates. In the monohydrate, C16H17N3O4 center dot H2O, the components are linked into sheets by a combination of O-H center dot center dot center dot O, O-H center dot center dot center dot N and N-H center dot center dot center dot N hydrogen bonds, and in the dihydrate, C16H17N3O4 center dot 2H(2)O, a combination of O-H center dot center dot center dot O, O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds links the components into a three-dimensional framework structure.

  DOI：

  10.1107/s0108270106052486

文献信息

• Anti-infective compounds
  申请人：Brodin Priscille

  公开号：US20110178077A1

  公开（公告）日：2011-07-21

  The present invention relates to small molecule compounds and their use in the treatment of bacterial infections, in particular Tuberculosis.

  本发明涉及小分子化合物及其在治疗细菌感染，特别是结核病方面的用途。
• US8785452B2
  申请人：——

  公开号：US8785452B2

  公开（公告）日：2014-07-22
• 2,3-Dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, and the mono- and dihydrates of 3,4,5-trimethoxybenzaldehyde isonicotinoylhydrazone: hydrogen-bonded supramolecular structures in one, two and three dimensions
  作者：Monica A. Peralta、Marcus N. V. de Souza、Solange M. S. V. Wardell、James L. Wardell、John N. Low、Christopher Glidewell

  DOI：10.1107/s0108270106052486

  日期：2007.1.15

  In 2,3-dimethoxybenzaldehyde isonicotinoylhydrazone chloroform monosolvate, C15H15N3O3 center dot CHCl3, the hydrazone molecules are linked by a combination of N-H center dot center dot center dot N and C-H center dot center dot center dot N hydrogen bonds into chains from which the chloroform molecules are pendent. 3,4,5-Trimethoxybenzaldehyde isonicotinoylhydrazone forms two stoichiometric hydrates. In the monohydrate, C16H17N3O4 center dot H2O, the components are linked into sheets by a combination of O-H center dot center dot center dot O, O-H center dot center dot center dot N and N-H center dot center dot center dot N hydrogen bonds, and in the dihydrate, C16H17N3O4 center dot 2H(2)O, a combination of O-H center dot center dot center dot O, O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds links the components into a three-dimensional framework structure.