1-(1,3-Benzodioxol-5-yl)-2-(1,2,4-triazol-1-yl)ethanone | 174831-67-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并间二氧杂环戊烯类
• 英文名称: 1-(1,3-Benzodioxol-5-yl)-2-(1,2,4-triazol-1-yl)ethanone
• CAS: 174831-67-5
• 化学式: C₁₁H₉N₃O₃
• mdl: MFCD12061679
• 分子量: 231.211
• InChiKey: DCLOCCPZFFUSBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.181
• 拓扑面积：
  66.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(1,3-Benzodioxol-5-yl)-2-(1,2,4-triazol-1-yl)ethanone 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 2.0h， 以81%的产率得到1-(1,3-Benzodioxol-5-yl)-2-(1,2,4-triazol-1-yl)ethanol
  参考文献：
  名称：

  Aromatic ethers of 1-aryl 2-(1H-azolyl)ethanol: study of antifungal activity

  摘要：

  Aromatic ethers related to antifungal azole miconazole were synthesized and tested against various strains of Candida. We found that activity is related to the nature of the aromatic ring and the position of substituents on this ring. Activity is more strongly dependent on the substituent in the 2 position of the ethyl chain than on the aromatic group linked through the oxygen. Triazoles were always less potent than the corresponding imidazole analogues.

  DOI：

  10.1016/0223-5234(96)88315-2
• 作为产物：
  描述：

  3,4-亚甲二氧苯乙酮 在 溴 、 三乙胺 作用下， 以 乙醚 、 氯仿 、 乙腈 为溶剂， 反应 4.0h， 生成 1-(1,3-Benzodioxol-5-yl)-2-(1,2,4-triazol-1-yl)ethanone
  参考文献：
  名称：

  Aromatic ethers of 1-aryl 2-(1H-azolyl)ethanol: study of antifungal activity

  摘要：

  Aromatic ethers related to antifungal azole miconazole were synthesized and tested against various strains of Candida. We found that activity is related to the nature of the aromatic ring and the position of substituents on this ring. Activity is more strongly dependent on the substituent in the 2 position of the ethyl chain than on the aromatic group linked through the oxygen. Triazoles were always less potent than the corresponding imidazole analogues.

  DOI：

  10.1016/0223-5234(96)88315-2

文献信息

• Aromatic ethers of 1-aryl 2-(1H-azolyl)ethanol: study of antifungal activity
  作者：Y Wahbi、R Caujolle、C Tournaire、M Payard、M.D. Linas、J.P. Seguela

  DOI：10.1016/0223-5234(96)88315-2

  日期：1995.1

  Aromatic ethers related to antifungal azole miconazole were synthesized and tested against various strains of Candida. We found that activity is related to the nature of the aromatic ring and the position of substituents on this ring. Activity is more strongly dependent on the substituent in the 2 position of the ethyl chain than on the aromatic group linked through the oxygen. Triazoles were always less potent than the corresponding imidazole analogues.