(3,5-dimethylpyrazin-2-yl)methyl 3-methylbutanoate | 1400563-41-8

• 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: (3,5-dimethylpyrazin-2-yl)methyl 3-methylbutanoate
• 英文别名: (3,5-Dimethylpyrazin-2-yl)methyl 3-methylbutanoate
• CAS: 1400563-41-8
• 化学式: C₁₂H₁₈N₂O₂
• 分子量: 222.287
• InChiKey: OJRCJTILZFAATO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  52.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  异戊酸 、 2,3,5-三甲基吡嗪 、 乙酸酐 在 双氧水 、 溶剂黄146 作用下， 反应 16.0h， 以26%的产率得到(3,5-dimethylpyrazin-2-yl)methyl 3-methylbutanoate
  参考文献：
  名称：

  Discovery of Tetrasubstituted Pyrazines As Semiochemicals in a Sexually Deceptive Orchid

  摘要：

  Sexually deceptive orchids employ mimicry of insect sex pheromones to exploit a diverse group of pollinators. The chemical structures of five semiochemicals (1-3,7, 8) produced by populations of the warty hammer orchid, Drakaea livida, pollinated by a thynnine wasp in the genus Catocheilus were elucidated. With the exception of (2,5-dimethylpyrazin-3-yl)methyl 3-methylbutanoate (7), all active compounds were tetrasubstituted pyrazines, including hydroxymethyl (1) and ester (2 and 3) trimethylpyrazine derivatives. Male Catocheilus wasps were responsive to all of these compounds in GC-EAD experiments.

  DOI：

  10.1021/np300388y