n-dodecyl 2-(2-methoxy-4-methylphenoxy)acetate | 1151474-40-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: n-dodecyl 2-(2-methoxy-4-methylphenoxy)acetate
• CAS: 1151474-40-6
• 化学式: C₂₂H₃₆O₄
• 分子量: 364.525
• InChiKey: XPVVTINSHYMBHY-UHFFFAOYSA-N

物化性质

• 沸点：
  450.0±30.0 °C(predicted)
• 密度：
  0.980±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.85
• 重原子数：
  26.0
• 可旋转键数：
  15.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  44.76
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为产物：
  描述：

  十二烷醇 、 2-(2-Methoxy-4-methylphenoxy)acetyl chloride 在 potassium carbonate 作用下， 以 甲苯 为溶剂， 以1.41 g的产率得到n-dodecyl 2-(2-methoxy-4-methylphenoxy)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