3-n-Valeramido-3-methyl-butin-(1) | 21604-46-6

• 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-n-Valeramido-3-methyl-butin-(1)
• 英文别名: N-(2-methylbut-3-yn-2-yl)pentanamide
• CAS: 21604-46-6
• 化学式: C₁₀H₁₇NO
• 分子量: 167.251
• InChiKey: XZQGWKOTESIXLP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  12
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  3-n-Valeramido-3-methyl-butin-(1) 在 zinc(II) iodide 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 生成 2-butyl-4,5-dihydro-4,4-dimethyl-5-methyleneoxazole
  参考文献：
  名称：

  Facile, Selective, and Regiocontrolled Synthesis of Oxazolines and Oxazoles Mediated by ZnI₂ and FeCl₃

  摘要：

  An expedient method for a direct approach to the selective and regiocontrolled synthesis of 2-oxazolines and 2-oxazoles mediated by ZnI2 and FeCl3 is described. A Lewis acid promoted cyclization of acetylenic amide with various functionalities was well tolerated to give 2-oxazolines and 2-oxazoles in good to excellent yields under mild reaction conditions.

  DOI：

  10.1021/ol301980g
• 作为产物：
  描述：

  戊酰氯 、 2-甲基-3-丁炔-2-胺 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 生成 3-n-Valeramido-3-methyl-butin-(1)
  参考文献：
  名称：

  Facile, Selective, and Regiocontrolled Synthesis of Oxazolines and Oxazoles Mediated by ZnI₂ and FeCl₃

  摘要：

  An expedient method for a direct approach to the selective and regiocontrolled synthesis of 2-oxazolines and 2-oxazoles mediated by ZnI2 and FeCl3 is described. A Lewis acid promoted cyclization of acetylenic amide with various functionalities was well tolerated to give 2-oxazolines and 2-oxazoles in good to excellent yields under mild reaction conditions.

  DOI：

  10.1021/ol301980g

文献信息

• Libman,N.M.; Kuznetsov,S.G., Journal of Organic Chemistry USSR (English Translation), 1968, vol. 4, p. 2050
  作者：Libman,N.M.、Kuznetsov,S.G.

  DOI：——

  日期：——