2,2,4,4-Tetraethylpentanedial | 903502-66-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2,4,4-Tetraethylpentanedial
• CAS: 903502-66-9
• 化学式: C₁₃H₂₄O₂
• 分子量: 212.332
• InChiKey: IIIHKVCJTNDIHM-UHFFFAOYSA-N

物化性质

• 沸点：
  304.6±15.0 °C(Predicted)
• 密度：
  0.892±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  15
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.85
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2,4,4-Tetraethylpentanedial 在 palladium on activated charcoal 氢气 、 双(三甲基硅烷基)氨基钾 作用下， 以 四氢呋喃 、 乙酸乙酯 、 甲苯 为溶剂， -78.0~20.0 ℃ 、101.33 kPa 条件下， 生成 5,5,7,7-tetraethylundecane
  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
• 作为产物：
  描述：

  2,2,4,4-tetraethylpentane-1,5-diol 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以87%的产率得到2,2,4,4-Tetraethylpentanedial
  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.