14C-1-hexene | 51771-07-4

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 14C-1-hexene
• 英文别名: <1-¹4 C>-hex-1-en；1-Hexen-1-C¹⁴；[1-¹⁴C]hex-1-ene；(114C)hex-1-ene
• CAS: 51771-07-4
• 化学式: C₆H₁₂
• 分子量: 86.1503
• InChiKey: LIKMAJRDDDTEIG-NJFSPNSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  6
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  14C-1-hexene 在 silica gel 、 钯 氢气 作用下， 生成 <1-¹⁴C>-n-Hexan
  参考文献：
  名称：

  Study of aromatization of n-hexane on aluminum ? Platinum catalyst by method of labeled molecules

  摘要：

  DOI：

  10.1007/bf00961615
• 作为产物：
  描述：

  hexyl acetate 生成 14C-1-hexene
  参考文献：
  名称：

  Study of aromatization of n-hexane on aluminum ? Platinum catalyst by method of labeled molecules

  摘要：

  DOI：

  10.1007/bf00961615

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.
• KANSKI R., RADIOCHEM. AND RADIOANAL. LETT., 1980, 44, NO 4, 211-6
  作者：KANSKI R.

  DOI：——

  日期：——