1-Hexyl acetate-2-14C

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-Hexyl acetate-2-14C
• 英文别名: hexyl acetate
• 化学式: C₈H₁₆O₂
• 分子量: 146.203
• InChiKey: AOGQPLXWSUTHQB-HQMMCQRPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  溴己烷 、 乙酸钠-2-14C 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成 1-Hexyl acetate-2-14C
  参考文献：
  名称：

  Pyrolysis of Alkyl Acetates. A Radical Pathway for the Formation of Minor Products

  摘要：

  Decyl acetate and decene pyrolysis under the same reaction conditions show that the formation of the minor products during the pyrolysis of esters occurs by a parallel, and not a secondary, reaction. The radioactivity observed in the CO2 and CO produced during the pyrolysis of 1-hexyl acetate-1-C-14 and the radioactivity in the methane from the pyrolysis of 1-hexyl acetate-2-C-14 strongly suggested a radical reaction pathway for the formation of the minor products. Considering the above results together with the radioactivity data of gas samples from the pyrolysis of 1-decyl-1-C-14 acetate, 1-hexyl-1 -C-14 acetate, and 1-heptadecyl-1-C-14 acetate leads to the conclusion that the mechanism of pyrolysis of esters may be viewed as a cyclo-D(E)D(N)A(N) mechanism for the formation of the major alkene product and a radical mechanism for the formation of minor products. A useful synthetic procedure for the preparation of high carbon number alkenes (>10) also results from this study.

  DOI：

  10.1021/jo00083a028

文献信息

• Pyrolysis of Alkyl Acetates. A Radical Pathway for the Formation of Minor Products
  作者：Buchang Shi、Ying Ji、Hossein A. Dabbagh、Burtron H. Davis

  DOI：10.1021/jo00083a028

  日期：1994.2

  Decyl acetate and decene pyrolysis under the same reaction conditions show that the formation of the minor products during the pyrolysis of esters occurs by a parallel, and not a secondary, reaction. The radioactivity observed in the CO2 and CO produced during the pyrolysis of 1-hexyl acetate-1-C-14 and the radioactivity in the methane from the pyrolysis of 1-hexyl acetate-2-C-14 strongly suggested a radical reaction pathway for the formation of the minor products. Considering the above results together with the radioactivity data of gas samples from the pyrolysis of 1-decyl-1-C-14 acetate, 1-hexyl-1 -C-14 acetate, and 1-heptadecyl-1-C-14 acetate leads to the conclusion that the mechanism of pyrolysis of esters may be viewed as a cyclo-D(E)D(N)A(N) mechanism for the formation of the major alkene product and a radical mechanism for the formation of minor products. A useful synthetic procedure for the preparation of high carbon number alkenes (>10) also results from this study.