1,2-bis(hydroxymethyl)-3,4,5,6-tetraphenylbenzene | 859782-25-5

• 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-bis(hydroxymethyl)-3,4,5,6-tetraphenylbenzene
• 英文别名: 1,2-Bis-hydroxymethyl-3,4,5,6-tetraphenyl-benzol；[2-(Hydroxymethyl)-3,4,5,6-tetraphenylphenyl]methanol
• CAS: 859782-25-5
• 化学式: C₃₂H₂₆O₂
• 分子量: 442.557
• InChiKey: HYOKAHQRXJEZAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,2-bis(hydroxymethyl)-3,4,5,6-tetraphenylbenzene 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 2.67h， 以40%的产率得到
  参考文献：
  名称：

  萘骨架上带有苯基取代基的2,3-萘酰亚胺衍生物的合成及荧光性质

  摘要：

  合成了新的在萘骨架上带有苯基取代基的2,3-萘二酰亚胺衍生物，并研究了它们的UV / vis吸收和荧光性质。随着萘骨架上苯基基团数目的增加，短波发射的荧光强度增强。

  DOI：

  10.1016/j.dyepig.2016.09.050
• 作为产物：
  描述：

  4,5,6,7-tetraphenyl-phthalide 在 lithium aluminium tetrahydride 作用下， 生成 1,2-bis(hydroxymethyl)-3,4,5,6-tetraphenylbenzene
  参考文献：
  名称：

  REACTIVITY OF TETRAPHENYL-o-XYLYLENE-α,α'-DIOL AS RELATED TO THAT OF TETRAPHENYLPHTHALIC ANHYDRIDE

  摘要：

  DOI：

  10.1021/jo01132a010

文献信息

• 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.
• Ried,W.; Ritz,M., Justus Liebigs Annalen der Chemie, 1969, vol. 724, p. 122 - 127
  作者：Ried,W.、Ritz,M.

  DOI：——

  日期：——
• Effect of Substituents at 1,4-Positions of Polycyclic Aromatic Compounds and Preparation of 2,3-Difunctionalized Pentacenes and Naphthacenes
  作者：Tamotsu Takahashi、Shi Li、Lishan Zhou、Zhiyi Song、Fengyu Bao、Ken-ichiro Kanno

  DOI：10.3987/com-07-s(u)28

  日期：——
• The solvates of 1,2-bis(bromomethyl)-3,4,5,6-tetraphenylbenzene
  作者：Paweł Szlachcic、Wojciech Migda、Katarzyna Stadnicka

  DOI：10.1016/j.molstruc.2006.10.041

  日期：2007.8

  Solvates of 1,2-bis(bromomethyl)-3,4,5,6-tetraphenylbenzene (1) were obtained, and their crystal structures were determined by X-ray diffraction. Crystal structure analysis indicated the following chemical compositions of solvates: I-benzene (2), 1-1/2 toluene (3), 1-1/2 chlorobenzene (4) and 1-1/4 ethyl acetate (5) were found by crystal structure analysis. 3 and 4 crystallize in orthorhombic space group Pccn, whereas 2 and 5 are monoclinic, space group P-21/c. In a different crystalline environment the conformation of I differs significantly. Some similarities could be found in the structures of 3 and 4. In the structure of 5 two symmetrically independent molecules also adopt different conformations. The packing of the molecules is similar in all the structures, with open channels filled by disordered solvent molecules. DFT calculations performed for the isolated molecule of I revealed the highest preference for the anti arrangement of the bromomethyl groups which was also observed in the crystalline state. An attempt to explain the lack of reactivity of I towards formation of the propellane derivatives was made. (C) 2006 Elsevier B.V. All rights reserved.
• REACTIVITY OF TETRAPHENYL-o-XYLYLENE-α,α'-DIOL AS RELATED TO THAT OF TETRAPHENYLPHTHALIC ANHYDRIDE
  作者：EUGENE F. BONNER、ADOLF G. FINKENSIEPER、ERNEST I. BECKER

  DOI：10.1021/jo01132a010

  日期：1953.4