1,2-Dimethyl-4,5-diphenyl-benzol | 23063-12-9

• 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: 1,2-Dimethyl-4,5-diphenyl-benzol
• 英文别名: 1,2-Dimethyl-4,5-diphenylbenzene；1,2-dimethyl-4,5-diphenylbenzene
• CAS: 23063-12-9
• 化学式: C₂₀H₁₈
• 分子量: 258.363
• InChiKey: BLBZZPCIIHJPDC-UHFFFAOYSA-N

物化性质

• 沸点：
  356.0±37.0 °C(Predicted)
• 密度：
  1.022±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.8
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.1
• 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：

  1,2-Dimethyl-4,5-diphenyl-benzol 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 作用下， 以 乙酸甲酯 为溶剂， 反应 0.05h， 以66%的产率得到4,5-bis(bromomethyl)-1,2-diphenylbenzene
  参考文献：
  名称：

  Probing Intramolecular CH−π Interactions in o-Quinodimethane Adducts of [60]Fullerene Using Variable Temperature NMR

  摘要：

  Several o-quinodimethane adducts of [60]fullerene were synthesized and their intramolecular aryl CH-fullerene pi interactions were studied using variable temperature-NMR (VT-NMR). Evaluation of the rate constants associated with the first-order transition states for cyclohexene boat-to-boat inversions enables quantification of Delta G(double dagger) values for each inversion. A comparison between two constitutional isomers, only one of which is capable of intramolecular CH-pi interactions, provides a lower limit of 0.95 kcal/mol for each aryl CH-fullerene pi interaction.

  DOI：

  10.1021/jo201921h
• 作为产物：
  描述：

  邻二甲苯 在 溴 、 碘 、 钯 作用下， 生成 1,2-Dimethyl-4,5-diphenyl-benzol
  参考文献：
  名称：

  Probing Intramolecular CH−π Interactions in o-Quinodimethane Adducts of [60]Fullerene Using Variable Temperature NMR

  摘要：

  Several o-quinodimethane adducts of [60]fullerene were synthesized and their intramolecular aryl CH-fullerene pi interactions were studied using variable temperature-NMR (VT-NMR). Evaluation of the rate constants associated with the first-order transition states for cyclohexene boat-to-boat inversions enables quantification of Delta G(double dagger) values for each inversion. A comparison between two constitutional isomers, only one of which is capable of intramolecular CH-pi interactions, provides a lower limit of 0.95 kcal/mol for each aryl CH-fullerene pi interaction.

  DOI：

  10.1021/jo201921h

文献信息

• Maier,G. et al., Chemische Berichte, 1969, vol. 102, # 6, p. 1928 - 1936
  作者：Maier,G. et al.

  DOI：——

  日期：——
• Probing Intramolecular CH−π Interactions in <i>o</i>-Quinodimethane Adducts of [60]Fullerene Using Variable Temperature NMR
  作者：Ryan P. Kopreski、Jonathan B. Briggs、Weimin Lin、Mikaël Jazdzyk、Glen P. Miller

  DOI：10.1021/jo201921h

  日期：2012.2.3

  Several o-quinodimethane adducts of [60]fullerene were synthesized and their intramolecular aryl CH-fullerene pi interactions were studied using variable temperature-NMR (VT-NMR). Evaluation of the rate constants associated with the first-order transition states for cyclohexene boat-to-boat inversions enables quantification of Delta G(double dagger) values for each inversion. A comparison between two constitutional isomers, only one of which is capable of intramolecular CH-pi interactions, provides a lower limit of 0.95 kcal/mol for each aryl CH-fullerene pi interaction.