[1-14C]己酸 | 55322-50-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: [1-14C]己酸
• 英文名称: [1-14C]caproic acid
• 英文别名: [1-¹⁴C]hexanoic acid；[1-¹⁴C]Hexansaeure；1-¹⁴C-Capronsaeure；Capronsaeure-1-¹⁴C；Hexan-1-¹⁴C-saeure；14C-Capronsaeure；(114C)hexanoic acid
• CAS: 55322-50-4
• 化学式: C₆H₁₂O₂
• 分子量: 118.149
• InChiKey: FUZZWVXGSFPDMH-ZQBYOMGUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  [1-14C]己酸 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 生成 [¹⁴C]1-hexanol
  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
• 作为产物：
  描述：

  1-溴戊烷 、 二氧化碳-14C 在 氢气 、 magnesium 作用下， 生成 [1-14C]己酸
  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

• Transformations of Acids in the Course of Ozonolysis of Oxygen-containing Derivatives of Cycloparaffins
  作者：A. M. Syroezhko、O. Yu. Begak

  DOI：10.1023/b:rjac.0000008316.31725.9f

  日期：2003.8

  Transformations of monocarboxylic, dicarboxylic, and keto acids in the course of low-temperature ozonolysis were studied using the corresponding C-14 labeled compounds.
• Barker; Kamen; Bornstein, Proceedings of the National Academy of Sciences of the United States of America, 1945, vol. 31, p. 374,377
  作者：Barker、Kamen、Bornstein

  DOI：——

  日期：——
• 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.