isopropyl 2-(3-methoxyphenoxy)acetate | 92723-25-6

• 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: isopropyl 2-(3-methoxyphenoxy)acetate
• 英文别名: 3-Methoxy-phenoxy-essigsaeure-isopropylester；Propan-2-yl 2-(3-methoxyphenoxy)acetate
• CAS: 92723-25-6
• 化学式: C₁₂H₁₆O₄
• 分子量: 224.257
• InChiKey: DHRDALWCQUDQTH-UHFFFAOYSA-N

物化性质

• 沸点：
  157 °C(Press: 2.75 Torr)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  44.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-甲氧基苯氧基乙酸 、 异丙醇 在 对甲苯磺酸 作用下， 反应 12.0h， 以85%的产率得到isopropyl 2-(3-methoxyphenoxy)acetate
  参考文献：
  名称：

  Aryloxyacetic esters structurally related to α-Asarone as potential antifungal agents

  摘要：

  A series of aryloxyacetic ester analogues 8-13 was synthesized based on the potential pharmacophores of the antifungal agents alpha-Asarone (1) and 2-5. Their antifungal activity was tested in vitro for their growth inhibitory activities against pathogenic fungi. The in vitro antifungal evaluation of these alkyl and aryl esters shows that derivatives 10 displayed the highest antifungal and fungicidal activities against Cryptococcus neoformans and C. gattii. These results support the idea that the phenoxyacetic frame is a potent pharmacophore for the design of potential antifungal drugs.

  DOI：

  10.1007/s00044-009-9170-3

文献信息

• Myska,J. et al., Collection of Czechoslovak Chemical Communications, 1961, vol. 26, p. 902 - 906
  作者：Myska,J. et al.

  DOI：——

  日期：——
• Aryloxyacetic esters structurally related to α-Asarone as potential antifungal agents
  作者：Fabiola Jiménez、María del Carmen Cruz、Clara Zúñiga、María A. Martínez、Germán Chamorro、Francisco Díaz、Joaquín Tamariz

  DOI：10.1007/s00044-009-9170-3

  日期：2010.2

  A series of aryloxyacetic ester analogues 8-13 was synthesized based on the potential pharmacophores of the antifungal agents alpha-Asarone (1) and 2-5. Their antifungal activity was tested in vitro for their growth inhibitory activities against pathogenic fungi. The in vitro antifungal evaluation of these alkyl and aryl esters shows that derivatives 10 displayed the highest antifungal and fungicidal activities against Cryptococcus neoformans and C. gattii. These results support the idea that the phenoxyacetic frame is a potent pharmacophore for the design of potential antifungal drugs.