2-[3-phenoxymethyl-4-phenyl-[1,2,4]-triazole-5-thio]acetohydrazide | 49656-93-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-[3-phenoxymethyl-4-phenyl-[1,2,4]-triazole-5-thio]acetohydrazide
• 英文别名: [3-phenoxymethyl-4-phenyl-1,2,4-triazole-5-yl-thio]acetylhydrazine；(5-phenoxymethyl-4-phenyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid hydrazide；5-Phenoxymethyl-4-phenyl-1,2,4-triazol-3-mercaptoacethydrazid；2-[[5-(phenoxymethyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetohydrazide
• CAS: 49656-93-1
• 化学式: C₁₇H₁₇N₅O₂S
• 分子量: 355.42
• InChiKey: PHFZWEUEIFFKLX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.93
• 重原子数：
  25.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  95.06
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  4-氯苯甲醛 、 2-[3-phenoxymethyl-4-phenyl-[1,2,4]-triazole-5-thio]acetohydrazide 以 乙醇 为溶剂， 反应 4.0h， 以85%的产率得到
  参考文献：
  名称：

  Awad, Ibrahim M. A.; Abdel-Rahman, Abdu E.; Bakhite, Etify A., Phosphorus, Sulfur and Silicon and the Related Elements, 1990, vol. 54, # 1/4, p. 63 - 71

  摘要：

  DOI：
• 作为产物：
  描述：

  5-(苯氧基甲基)-4-苯基-4H-1,2,4-三唑-3-硫醇 在 potassium carbonate 、 一水合肼 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 18.0h， 生成 2-[3-phenoxymethyl-4-phenyl-[1,2,4]-triazole-5-thio]acetohydrazide
  参考文献：
  名称：

  Synthesis, Crystal Structure and Biological Activity of Novel N-2-Chlorophenyl-N'-2-[3-phenoxymethyl-4-phenyl-[1,2,4]triazole-5-thio]acetyl Hydrazone

  摘要：

  DOI：

  10.14233/ajchem.2015.18778

文献信息

• Microwave-Induced Synthesis and Bioactivity of [3-Phenoxy-methyl-4-phenyl-1,2,4-triazole-5-yl-thio]acetyl Hydrazone Derivatives
  作者：Tai-Bao Wei、Xiao-Li Du、Rong Xu、You-Ming Zhang

  DOI：10.1080/10426500903463713

  日期：2010.9.27

  A convenient method for the preparation of hydrazone derivatives from condensation reaction of [3-phenoxymethyl-4-phenyl-1,2,4-triazole-5-yl-thio]acetyl hydrazine with various substituted benzaldehydes under conditions of microwave irradiation has been developed. This method has many merits including high yields, short reaction times, ease of work-up, and simple operation. All of the compounds have been characterized by 1H NMR, 13C NMR, IR spectra and elemental analysis. In addition, the preliminary biological activity tests showed that some of the title compounds remarkably enhanced the root elongation of rape seedings; moreover, some compounds possessed antibacterial activity against Bacillus subtilis. Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.
• AWAD, IBRAHIM M. A.;ABDEL-RAHMAN, ABDU E.;BAKHITE, ETIFY A., PHOSPH., SULFUR AND SILICON AND RELAT. ELEM., 54,(1990) N-4, C. 63-71
  作者：AWAD, IBRAHIM M. A.、ABDEL-RAHMAN, ABDU E.、BAKHITE, ETIFY A.

  DOI：——

  日期：——