1-isopropenyl-2,3,5,6-tetramethylbenzene | 116761-73-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-isopropenyl-2,3,5,6-tetramethylbenzene
• 英文别名: 1-(3-Methylbutyl)-2,3,5,6-tetramethylbenzene；1,2,4,5-tetramethyl-3-(3-methylbutyl)benzene
• CAS: 116761-73-0
• 化学式: C₁₅H₂₄
• 分子量: 204.356
• InChiKey: IMCZDBLTHQRTJI-UHFFFAOYSA-N

物化性质

• 沸点：
  288.1±35.0 °C(Predicted)
• 密度：
  0.861±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 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：

  1-isopropenyl-2,3,5,6-tetramethylbenzene 在 溴 作用下， 以95%的产率得到1-Bromo-2,3,5,6-tetramethyl-4-(3-methyl-butyl)-benzene
  参考文献：
  名称：

  Highly Efficient Luminescent Organic Clusters with Quantum Dot-Like Properties

  摘要：

  Organic clusters with uniform structure and size have been synthesized and studied. The quantum confinements on organic arms [chains shorter than exciton Bohr radii (aB)] have been confirmed by the discrete energy levels from PLE, narrow PL lines, size effect from UV, and spherical shape from TEM, as well as Raman peaks red-shifting and broadening. The results indicate the materials have QD-like properties.

  DOI：

  10.1021/ja049650j
• 作为产物：
  描述：

  2,3,5,6-四甲基苯甲醛 在 palladium on activated charcoal 氢气 作用下， 以 乙醇 为溶剂， 生成 1-isopropenyl-2,3,5,6-tetramethylbenzene
  参考文献：
  名称：

  An unexpected γ-hydrogen rearrangement in the mass spectra of di-ortho -substituted alkylbenzenes

  摘要：

  AbstractIn contradiction of long‐accepted mass spectrometric dogma, the site‐specific γ‐hydrogen rearrangement is observed in alkylbenzenes in which both ortho positions are blocked with methyl substituents. Mass spectrometric studies of a series of five trimethyl‐ and three tetramethylisopentylbenzenes have shown that this rearrangement is only suppressed to a significant degree in those compounds in which all three positions ortho and para to the isopentyl group are blocked. Deuterium labelling has confirmed the γ‐site‐specific origin of the migrating H atom while metastable studies have been used to investigate the mechanism of the rearrangement process.

  DOI：

  10.1002/oms.1210230108

文献信息

• An unexpected γ-hydrogen rearrangement in the mass spectra of di-ortho -substituted alkylbenzenes
  作者：Eric E. Kingston、John V. Eichholzer、Paul Lyndon、John K. Macleod、Roger E. Summons

  DOI：10.1002/oms.1210230108

  日期：1988.1

  AbstractIn contradiction of long‐accepted mass spectrometric dogma, the site‐specific γ‐hydrogen rearrangement is observed in alkylbenzenes in which both ortho positions are blocked with methyl substituents. Mass spectrometric studies of a series of five trimethyl‐ and three tetramethylisopentylbenzenes have shown that this rearrangement is only suppressed to a significant degree in those compounds in which all three positions ortho and para to the isopentyl group are blocked. Deuterium labelling has confirmed the γ‐site‐specific origin of the migrating H atom while metastable studies have been used to investigate the mechanism of the rearrangement process.
• Highly Efficient Luminescent Organic Clusters with Quantum Dot-Like Properties
  作者：He、Yang Xiao、Huang、Lin、Khine Y. Mya、Zhang

  DOI：10.1021/ja049650j

  日期：2004.6.1

  Organic clusters with uniform structure and size have been synthesized and studied. The quantum confinements on organic arms [chains shorter than exciton Bohr radii (aB)] have been confirmed by the discrete energy levels from PLE, narrow PL lines, size effect from UV, and spherical shape from TEM, as well as Raman peaks red-shifting and broadening. The results indicate the materials have QD-like properties.