ethyl {[3-methyl-1-phenyl-4-(propen-2-yl)-1H-pyrazol-5-yl]oxy}acetate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl {[3-methyl-1-phenyl-4-(propen-2-yl)-1H-pyrazol-5-yl]oxy}acetate
• 英文别名: Ethyl 2-(5-methyl-2-phenyl-4-prop-1-en-2-ylpyrazol-3-yl)oxyacetate；ethyl 2-(5-methyl-2-phenyl-4-prop-1-en-2-ylpyrazol-3-yl)oxyacetate
• 化学式: C₁₇H₂₀N₂O₃
• 分子量: 300.357
• InChiKey: HINHKCXDEARDKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  53.4
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-isopropylidene-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one 、 氯乙酸乙酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以37%的产率得到ethyl {[3-methyl-1-phenyl-4-(propen-2-yl)-1H-pyrazol-5-yl]oxy}acetate
  参考文献：
  名称：

  Chemical Reactivity and Application of 4-Alkylidene-3H-pyrazol-3-ones: Synthesis and Antifungal Activity of Polysubstituted Pyrazoles

  摘要：

  Chemical reactivity and application of 4-alkylidene-3H-pyrazol-3ones are described. Furthermore, twelve of the newly synthesized O-substituted pyrazoles were evaluated for their antifungal activity in vitro against Candida albicans and Saccharomyces cerevisiae.

  DOI：

  10.3987/com-15-s(t)13

文献信息

• Chemical Reactivity and Application of 4-Alkylidene-3H-pyrazol-3-ones: Synthesis and Antifungal Activity of Polysubstituted Pyrazoles
  作者：Hiroshi Maruoka、Masataka Hokao、Eiichi Masumoto、Fumi Okabe、Reiko Tanaka、Fumio Miake、Toshihiro Fujioka、Kenji Yamagata

  DOI：10.3987/com-15-s(t)13

  日期：——

  Chemical reactivity and application of 4-alkylidene-3H-pyrazol-3ones are described. Furthermore, twelve of the newly synthesized O-substituted pyrazoles were evaluated for their antifungal activity in vitro against Candida albicans and Saccharomyces cerevisiae.