2-(3-[2-(3,4-dimethoxyphenyl)vinyl]-1H-1,2,4-triazol-5-yl)phenol | 702650-45-1

• 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-[2-(3,4-dimethoxyphenyl)vinyl]-1H-1,2,4-triazol-5-yl)phenol
• 英文别名: 2-[5-[2-(3,4-dimethoxyphenyl)ethenyl]-1H-1,2,4-triazol-3-yl]phenol
• CAS: 702650-45-1
• 化学式: C₁₈H₁₇N₃O₃
• 分子量: 323.351
• InChiKey: BVFYQEXFUILUIC-UHFFFAOYSA-N

物化性质

• 沸点：
  577.8±60.0 °C(Predicted)
• 密度：
  1.297±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  80.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(3-[2-(3,4-dimethoxyphenyl)vinyl]-1H-1,2,4-triazol-5-yl)phenol 以 丙酮 、 甘油 为溶剂， 生成 2-{5-[2-(3,4-dimethoxyphenyl)vinyl]-1-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-1H-1,2,4-triazol-3-yl}phenol
  参考文献：
  名称：

  新型三唑基取代的羧酸酯的合成及其氨解

  摘要：

  在肼基苯甲酸的作用下使4-氧代1，3-苯并恶嗪高氯酸盐再循环，得到先前未知的1,2,4-三唑基苯甲酸，将其酯化以获得相应的酯。3-（邻-羟基苯基）-1,2,4-三唑与氯乙酸乙酯的烷基化反应形成三唑基乙酸乙酯，其氨解反应可以合成新的双杂环酰亚胺。

  DOI：

  10.1134/s1070428019020155
• 作为产物：
  描述：

  2-(3,4-dimethoxy-styryl)-benzo[e][1,3]oxazin-4-one; perchlorate 在 一水合肼 、 溶剂黄146 作用下， 以56%的产率得到2-(3-[2-(3,4-dimethoxyphenyl)vinyl]-1H-1,2,4-triazol-5-yl)phenol
  参考文献：
  名称：

  Reactions of hydroxyphenyl-substituted 1,2,4-triazoles with electrophylic reagents

  摘要：

  Reactions of hydroxyphenyl substituted 1,2,4-triazoles with various electrophylic reagents were studied. Despite of the presence of several nucleophilic centers in the molecule, the reactions were shown to proceed regioselectively, with the formation of N-substituted 3-(2-hydroxyphenyl)-1,2,4-triazoles. As a result of the reactions of alkylation, tosylation, sulfoamination and aminomethylation by Mannich reaction earlier unknown potential biologically active N-derivatives of 1,2,4-triazole were obtained.

  DOI：

  10.1134/s1070363209100259

文献信息

• Reactions of hydroxyphenyl-substituted 1,2,4-triazoles with electrophylic reagents
  作者：E. Yu. Shasheva、N. I. Vikrishchuk、L. D. Popov、A. D. Vikrishchuk、I. E. Mikhailov、K. A. Lysenko、M. E. Kletskii

  DOI：10.1134/s1070363209100259

  日期：2009.10

  Reactions of hydroxyphenyl substituted 1,2,4-triazoles with various electrophylic reagents were studied. Despite of the presence of several nucleophilic centers in the molecule, the reactions were shown to proceed regioselectively, with the formation of N-substituted 3-(2-hydroxyphenyl)-1,2,4-triazoles. As a result of the reactions of alkylation, tosylation, sulfoamination and aminomethylation by Mannich reaction earlier unknown potential biologically active N-derivatives of 1,2,4-triazole were obtained.
• Synthesis of Novel Triazolyl-substituted Carboxylic Acid Esters and Their Aminolysis
  作者：N. I. Vikrishchuk、L. D. Popov

  DOI：10.1134/s1070428019020155

  日期：2019.2

  action of hydrazinobenzoic acids gave previously unknown 1,2,4-triazolylbenzoic acids which were esterified to obtain the corresponding esters. Alkylation of 3-(o-hydroxyphenyl)-1,2,4-triazoles with ethyl chloroacetate formed ethyl triazolylacetates, whose aminolysis allowed synthesis of novel bis-heterocyclic imides.

  在肼基苯甲酸的作用下使4-氧代1，3-苯并恶嗪高氯酸盐再循环，得到先前未知的1,2,4-三唑基苯甲酸，将其酯化以获得相应的酯。3-（邻-羟基苯基）-1,2,4-三唑与氯乙酸乙酯的烷基化反应形成三唑基乙酸乙酯，其氨解反应可以合成新的双杂环酰亚胺。