Methyl 4,9-dimethyldecanoate

• 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: Methyl 4,9-dimethyldecanoate
• 英文别名: methyl 4,9-dimethyldecanoate
• 化学式: C₁₃H₂₆O₂
• 分子量: 214.348
• InChiKey: BUAGASJNVKDZLY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  15
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  四氢吡咯 、 Methyl 4,9-dimethyldecanoate 在 溶剂黄146 作用下， 反应 24.0h， 生成 N-4,9-Dimethyldecanoylpyrrolidine
  参考文献：
  名称：

  Characterization of Novel Methyl-Branched Chain Fatty Acids from a Halophilic Bacillus Species

  摘要：

  The 4-methylated fatty acids 4,9-dimethyldecanoic, 4,11-dimethyldodecanoic, 4,10-dimethyldodecanoic, and 4,13-dimethyltetradecanoic acid as well as the 2-methylated fatty acids 2,13-dimethyltetradecanoic and 2, 12-dimethyltetradecanoic acid were identified for the first time in nature in the halophilic bacterium Bacillus sp. isolated from the salt pans of Burgas in Bulgaria. The principal fatty acids in this bacterium were a series of iso-anteiso fatty acids with chain lengths between C-11 and C-19, but an interesting series of linear alkylbenzene fatty acids with chain lengths between C-10 and C-14, such as 12-phenyldodecanoic acid, were also identified. The novel 4-methylated fatty acids were characterized using a combination of GC-MS and chemical transformations such as N-acylpyrrolidide derivatization. The 2-methylated fatty acids were also identified by GC-MS and gas chromatographic coelution with synthetic samples. The novel methyl-branched fatty acids probably originated from the selective incorporation of methylmalonyl-CoA by one of the fatty acid-synthesizing enzymes of the bacterium.

  DOI：

  10.1021/np000494d