(3,5,6-trimethylpyrazin-2-yl)methyl 3-methylbutanoate | 1400563-37-2

• 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: (3,5,6-trimethylpyrazin-2-yl)methyl 3-methylbutanoate
• 英文别名: (3,5,6-Trimethylpyrazin-2-yl)methyl 3-methylbutanoate
• CAS: 1400563-37-2
• 化学式: C₁₃H₂₀N₂O₂
• 分子量: 236.314
• InChiKey: LGHDDVGKRHDKQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.62
• 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：

  川芎嗪 在 4-二甲氨基吡啶 、 水 、 双氧水 、 溶剂黄146 、 N,N'-二环己基碳二亚胺 、 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 19.0h， 生成 (3,5,6-trimethylpyrazin-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

文献信息

• Discovery of Tetrasubstituted Pyrazines As Semiochemicals in a Sexually Deceptive Orchid
  作者：Björn Bohman、Lynne Jeffares、Gavin Flematti、Lindsay T. Byrne、Brian W. Skelton、Ryan D. Phillips、Kingsley, W. Dixon、Rod Peakall、Russell A. Barrow

  DOI：10.1021/np300388y

  日期：2012.9.28

  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.