2,4,8,10-tetramethyl-6-methyleneundecane | 1246265-66-6

• 分子结构分类: 有机化合物 - 碳氢化合物 - 不饱和烃
• 英文名称: 2,4,8,10-tetramethyl-6-methyleneundecane
• 英文别名: 2,4,8,10-Tetramethyl-6-methylideneundecane
• CAS: 1246265-66-6
• 化学式: C₁₆H₃₂
• 分子量: 224.43
• InChiKey: JKGBHJCOYQZNQA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.2
• 重原子数：
  16
• 可旋转键数：
  8
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.88
• 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：

  2,4,8,10-tetramethyl-6-methyleneundecane 在 10 % platinum on carbon 、 氢气 作用下， 25.0 ℃ 、101.33 kPa 条件下， 反应 48.0h， 生成 2,4,6,8,10-pentamethylundecane 、 (4R,6r,8S)-2,4,6,8,10-pentamethylundecane 、 (4R,6s,8S)-2,4,6,8,10-pentamethylundecane
  参考文献：
  名称：

  走向各种策略的聚丙烯模型化合物的灵活途径

  摘要：

  本文报道了2,4,6,8,10-五甲基十一烷（PMU）的灵活合成方法以及其非对映异构体分离的色谱方法。该策略提供了独特的机会来加入三种具有不同立规度（即等规，间规和无规PP）的聚丙烯（PP）模型化合物。 模型烃-聚烯烃-全合成-HPLC-NMR

  DOI：

  10.1055/s-0030-1258233
• 作为产物：
  描述：

  甲基三苯基溴化膦 、 2,4,8,10-tetramethylundecan-6-one 在 potassium tert-butylate 作用下， 以 四氢呋喃 为溶剂， 反应 0.12h， 以81%的产率得到2,4,8,10-tetramethyl-6-methyleneundecane
  参考文献：
  名称：

  走向各种策略的聚丙烯模型化合物的灵活途径

  摘要：

  本文报道了2,4,6,8,10-五甲基十一烷（PMU）的灵活合成方法以及其非对映异构体分离的色谱方法。该策略提供了独特的机会来加入三种具有不同立规度（即等规，间规和无规PP）的聚丙烯（PP）模型化合物。 模型烃-聚烯烃-全合成-HPLC-NMR

  DOI：

  10.1055/s-0030-1258233

文献信息

• Combined Experimental and Theoretical Study on the Raman and Raman Optical Activity Signatures of Pentamethylundecane Diastereoisomers
  作者：Xavier Drooghaag、Jacqueline Marchand-Brynaert、Benoît Champagne、Vincent Liégeois

  DOI：10.1021/jp105028q

  日期：2010.9.16

  The synthesis and the separation of the four stereoisomers of 2,4,6,8,10-pentamethylundecane (PMU) are described together with their characterization by Raman spectroscopy. In parallel, theoretical calculations of the Raman and vibrational Raman optical activity (VROA) spectra are reported and analyzed in relation with the recorded spectra. A very good agreement is found between the experimental and theoretical spectra. The Raman spectra are also shown to be less affected by the change of configuration than the VROA spectra. Nevertheless, by studying the overlap between the theoretical Raman spectra, we show clear relationships between the spectral fingerprints and the structures displaying a mixture of the TGTGTGTG conformation of the (4R,6s,8S)-PMU (isotactic compound) with the TTTTTTTT conformation of the (4R,6r,8S)-PMU (syndiotactic compound). Then, the fingerprints of the VROA spectra of the five conformers of the (4R,8R)-PMU have been related to the fingerprints of the regular (TG)(N) isotactic compound as a function of the torsion angles. Since the (TT)(N) syndiotactic compound has no VROA signatures, the VROA spectroscopy is very sensitive to the helical structures, as demonstrated here.
• A Flexible Route toward Polypropylene Model Compounds of Various Tacticities
  作者：Jacqueline Marchand-Brynaert、Xavier Drooghaag、Gaëtan Henry

  DOI：10.1055/s-0030-1258233

  日期：2010.11

  paper reports the flexible synthesis of 2,4,6,8,10-pentamethylundecane (PMU) as well as a chromatographic method for the separation of its diastereoisomers. This strategy offers a unique opportunity to accede to three model compounds of polypropylene (PP) of different tacticities (i.e., isotactic, syndiotactic, and atactic PP). model hydrocarbons - polyolefins - total synthesis - HPLC - NMR

  本文报道了2,4,6,8,10-五甲基十一烷（PMU）的灵活合成方法以及其非对映异构体分离的色谱方法。该策略提供了独特的机会来加入三种具有不同立规度（即等规，间规和无规PP）的聚丙烯（PP）模型化合物。 模型烃-聚烯烃-全合成-HPLC-NMR