9-heptadecyne cyanide | 276881-64-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 9-heptadecyne cyanide
• CAS: 276881-64-2
• 化学式: C₁₇H₂₉N
• 分子量: 247.424
• InChiKey: RHRLYSGGADPPSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  18.0
• 可旋转键数：
  11.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  23.79
• 氢给体数：
  0.0
• 氢受体数：
  1.0

反应信息

• 作为反应物：
  描述：

  9-heptadecyne cyanide 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以66%的产率得到9-十七烷酸
  参考文献：
  名称：

  摘要：

  Difficulties in isolating and purifying antibiotic fatty acids from culture filtrates of Pseudozyma flocculosa, a biocontrol agent against powdery mildew, have been limiting factors in studying the properties and understanding the mode of action of the biocontrol agent. We report a new protocol for synthesizing (Z)-9-heptadecenoic and for the first time synthesis of (Z)-6-methyl-9-heptadecenoic acids, two antibiotic fatty acids produced by P. flocculosa. This allowed reproducible and quantifiable means of assaying biological activity of the molecules. In these bioassays, both molecules exhibited antifungal activity corresponding to their expected potency. These new developments should facilitate further studies aimed at deciphering the ecological properties of P. flocculosa.

  DOI：

  10.1023/a:1005464326573
• 作为产物：
  描述：

  1-壬炔 在 lithium amide 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 10.5h， 生成 9-heptadecyne cyanide
  参考文献：
  名称：

  摘要：

  Difficulties in isolating and purifying antibiotic fatty acids from culture filtrates of Pseudozyma flocculosa, a biocontrol agent against powdery mildew, have been limiting factors in studying the properties and understanding the mode of action of the biocontrol agent. We report a new protocol for synthesizing (Z)-9-heptadecenoic and for the first time synthesis of (Z)-6-methyl-9-heptadecenoic acids, two antibiotic fatty acids produced by P. flocculosa. This allowed reproducible and quantifiable means of assaying biological activity of the molecules. In these bioassays, both molecules exhibited antifungal activity corresponding to their expected potency. These new developments should facilitate further studies aimed at deciphering the ecological properties of P. flocculosa.

  DOI：

  10.1023/a:1005464326573