1,2-二(溴甲基)-3,4,5,6-四苯基苯 | 23421-54-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 1,2-二(溴甲基)-3,4,5,6-四苯基苯
• 英文名称: 1,2-bis(bromomethyl)-3,4,5,6-tetraphenylbenzene
• 英文别名: 1.2-Bis--3.4.5.6-tetraphenyl-benzol；5,6-bis(bromomethyl)-1,2,3,4-tetraphenylbenzene
• CAS: 23421-54-7
• 化学式: C₃₂H₂₄Br₂
• 分子量: 568.351
• InChiKey: SKMRRJGCHVJEKL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.5
• 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：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1,2-二(溴甲基)-3,4,5,6-四苯基苯 、 足球烯 在 18-冠醚-6 、 potassium iodide 作用下， 以 甲苯 为溶剂， 反应 17.0h， 以36%的产率得到65,66,67,68-Tetraphenyltritriacontacyclo[62.4.0.03,58.03,62.04,20.05,57.06,18.07,55.08,17.09,53.010,15.011,52.012,49.013,47.014,44.016,43.019,42.021,41.022,62.023,39.024,61.025,37.026,35.027,60.028,33.029,59.030,56.031,54.032,51.034,50.036,48.038,46.040,45]octahexaconta-1(64),4(20),5(57),6(18),7(55),8(17),9(53),10(15),11,13,16(43),19(42),21(41),22,24(61),25,27(60),28,30(56),31(54),32,34,36,38(46),39,44,47,49,51,58,65,67-dotriacontaene
  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：

  1,2-bis(hydroxymethyl)-3,4,5,6-tetraphenylbenzene 在 三溴化磷 作用下， 以 四氯化碳 为溶剂， 生成 1,2-二(溴甲基)-3,4,5,6-四苯基苯
  参考文献：
  名称：

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

  摘要：

  DOI：

文献信息

• Light-emitting organic oligomer compositions
  申请人：University of Rochester

  公开号：US20030039838A1

  公开（公告）日：2003-02-27

  Photonic materials include light-emitting organic oligomer compositions that include at least one light-emitting oligomer. The oligomer compositions include oligofluorenes having chiral and/or achiral pendants. The oligomer compositions also include spiro-linked oligofluorenes and fully spiro-configured terfluorenes. Methods for syntheisizing light-emitting organic oligomer compositions include preparing fluorene-based oligomers by convergent/divergent synthesis.

  光子材料包括至少含有一种发光寡聚物的发光有机寡聚物组合物，其中寡聚物组合物包括具有手性和/或非手性挂链的寡氟烯。该寡聚物组合物还包括螺环联结的寡氟烯和完全螺旋构型的三氟烯。合成发光有机寡聚物组合物的方法包括通过聚合/分散合成制备基于芴的寡聚物。
• 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.
• LIGHT-EMITTING ORGANIC OLIGOMER COMPOSITIONS
  申请人：University of Rochester

  公开号：EP1425168A2

  公开（公告）日：2004-06-09
• EP1425168A4
  申请人：——

  公开号：EP1425168A4

  公开（公告）日：2007-01-03
• US7057009B2
  申请人：——

  公开号：US7057009B2

  公开（公告）日：2006-06-06