3-ethyl-3-methylheptadecane

• 分子结构分类: 有机化合物 - 碳氢化合物 - 饱和烃
• 英文名称: 3-ethyl-3-methylheptadecane
• 化学式: C₂₀H₄₂
• 分子量: 282.553
• InChiKey: VVWFTNYAEIQEEJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  10.6
• 重原子数：
  20
• 可旋转键数：
  15
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为产物：
  描述：

  溴代十五烷 在 1,2-双(叔丁基二甲基硅烷基)肼 、 二异丁基氢化铝 、 scandium tris(trifluoromethanesulfonate) 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 二氯甲烷 、 甲苯 为溶剂， 反应 24.0h， 生成 3-ethyl-3-methylheptadecane
  参考文献：
  名称：

  Total Synthesis and Structural Verification of Some Novel Branched Alkanes with Quaternary Carbons Isolated from Diverse Geological Sources

  摘要：

  With a view to the authentication of an unusual series of branched alkanes with quaternary centers (BAQCs) isolated from geological samples, and whose structures rest on the interpretation of EI-mass spectral fragmentation patterns, the total synthesis of 3-ethyl-3-methylheptadecane, 3,3-dimethylheptadecane, 3,3,11,11-tetraethyltridecane, and 5,5,7,7-tetraethylundecane is described. The GC-MS data of the first two samples are identical with those of the isolates and confirm their structures. However, the GC-MS data of the two more highly branched structures do not match those of the geological isolates leading to the conclusion that these structures were erroneously assigned.

  DOI：

  10.1021/jo0603983

文献信息

• Total Synthesis and Structural Verification of Some Novel Branched Alkanes with Quaternary Carbons Isolated from Diverse Geological Sources
  作者：David Crich、Huadong Xu、Fabien Kenig

  DOI：10.1021/jo0603983

  日期：2006.6.1

  With a view to the authentication of an unusual series of branched alkanes with quaternary centers (BAQCs) isolated from geological samples, and whose structures rest on the interpretation of EI-mass spectral fragmentation patterns, the total synthesis of 3-ethyl-3-methylheptadecane, 3,3-dimethylheptadecane, 3,3,11,11-tetraethyltridecane, and 5,5,7,7-tetraethylundecane is described. The GC-MS data of the first two samples are identical with those of the isolates and confirm their structures. However, the GC-MS data of the two more highly branched structures do not match those of the geological isolates leading to the conclusion that these structures were erroneously assigned.