(E)-N'-(furan-2-ylmethylene)-5-methylisoxazole-4-carbohydrazide | 1361451-41-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (E)-N'-(furan-2-ylmethylene)-5-methylisoxazole-4-carbohydrazide
• CAS: 1361451-41-3
• 化学式: C₁₀H₉N₃O₃
• 分子量: 219.2
• InChiKey: NAFNWGQHBMRTFE-VZUCSPMQSA-N

反应信息

• 作为产物：
  描述：

  糠醛 、 5-methylisoxazole-4-carbonyl hydrazine 在 溶剂黄146 作用下， 反应 3.0h， 以87%的产率得到(E)-N'-(furan-2-ylmethylene)-5-methylisoxazole-4-carbohydrazide
  参考文献：
  名称：

  A novel difunctional acylhydrazone with isoxazole and furan heterocycles: Syntheses, structure, spectroscopic properties, antibacterial activities and theoretical studies of (E)-N′-(furan-2-ylmethylene)-5-methylisoxazole-4-carbohydrazide

  摘要：

  In order to explore new functional materials, a novel acylhydrazone with isoxazole and furan heterocycles was synthesized and thoroughly investigated by X-ray crystallography, UV and fluorescence spectroscopy, cyclic voltammetry, thermoanalysis, density functional theory (DFT) and time-dependent density functional theory (TDDFT). The molecule has been demonstrated to crystallize in the monoclinic space group P2(1)/c, with the unit cell parameters of (a = 11.3522(19) angstrom, b = 8.0700(14) angstrom, c = 12.872(2) angstrom; alpha = 90 degrees, beta = 106.969(12)degrees, gamma = 90 degrees). In addition, this compound shows characteristic UV absorption peaks at 205, 222 and 308 nm, and fluorescence emission peak at 486.1 nm, which according to our theoretic calculation can all be attributed to (p, pi) -> pi* and pi -> pi* intraligand charge-transfer transition (ILCT) respectively. According to our cyclic voltammetry result, an oxidation peak of the compound can be observed with onset oxidation potential (E-ox)of 0.44 V. Furthermore, the results of antibacterial activities indicate the compound has broad-spectrum against Bacillus subtilis, Pseudomonas aeruginosa, Escherichia coli and Staphylococcus aureus, which can be supported by the molecular electrostatic potential (MEP). Therefore, this compound exhibits both antibacterial activity and photoluminescent property, namely difunctionality, suggesting that it has potential applications in many fields such as material science and photodynamic therapy. Crown Copyright (C) 2011 Published by Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2011.12.022