1,3,5-tris[4''-(trimethylsilyl)-2'-biphenyl]ylbenzene | 883970-40-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 1,3,5-tris[4''-(trimethylsilyl)-2'-biphenyl]ylbenzene
• 英文别名: [4-[2-[3,5-Bis[2-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane；[4-[2-[3,5-bis[2-(4-trimethylsilylphenyl)phenyl]phenyl]phenyl]phenyl]-trimethylsilane
• CAS: 883970-40-9
• 化学式: C₅₁H₅₄Si₃
• 分子量: 751.246
• InChiKey: CSQOYZBBYRKNGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  13.32
• 重原子数：
  54
• 可旋转键数：
  9
• 环数：
  7.0
• sp3杂化的碳原子比例：
  0.18
• 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：

  1,3,5-tris[4''-(trimethylsilyl)-2'-biphenyl]ylbenzene 在 哌啶 、 copper(l) iodide 、 四(三苯基膦)钯 、 一氯化碘 、 三氯化铁 作用下， 以 硝基甲烷 、 二氯甲烷 、 氯仿 为溶剂， 反应 22.0h， 生成 Trimethyl-[2-[21-(2-trimethylsilylethynyl)-17-[2-[4-(2-trimethylsilylethynyl)phenyl]phenyl]-5-octacyclo[16.12.0.02,15.03,8.04,29.09,14.019,24.025,30]triaconta-1,3(8),4,6,9,11,13,15,17,19(24),20,22,25(30),26,28-pentadecaenyl]ethynyl]silane
  参考文献：
  名称：

  Hexa-peri-hexabenzocoronenes by Efficient Oxidative Cyclodehydrogenation:  The Role of the Oligophenylene Precursors

  摘要：

  Oligophenylene precursors based on 1,3,5-tris-(2'-biphenyl)ylbenzene (4a) and 1,4-bis-(2'-biphenyl)yl-2,5-diphenylbenzene (5a) were prepared and utilized for efficient hexabenzocoronene (HBC) synthesis by cyclodehydrogenations. Parent HBC 6a was efficiently synthesized from the 1,3,5-tris-(2'-biphenyl)ylbenzene precursor, and novel D-3h symmetrical HBCs were prepared from 1,3,5-tris-(2'-biphenyl)ylbenzenes with various substitution types. For the preparation of a tert-butyl containing HBC 7 with D-2h symmetry, a two-step cyclodehydrogenation was required because of changes in the spin density distribution.

  DOI：

  10.1021/ol053043z
• 作为产物：
  描述：

  2'-溴苯乙酮 在 四(三苯基膦)钯 、 三氟甲磺酸 、 potassium carbonate 作用下， 以 乙醇 、 水 、 甲苯 为溶剂， 生成 1,3,5-tris[4''-(trimethylsilyl)-2'-biphenyl]ylbenzene
  参考文献：
  名称：

  Hexa-peri-hexabenzocoronenes by Efficient Oxidative Cyclodehydrogenation:  The Role of the Oligophenylene Precursors

  摘要：

  Oligophenylene precursors based on 1,3,5-tris-(2'-biphenyl)ylbenzene (4a) and 1,4-bis-(2'-biphenyl)yl-2,5-diphenylbenzene (5a) were prepared and utilized for efficient hexabenzocoronene (HBC) synthesis by cyclodehydrogenations. Parent HBC 6a was efficiently synthesized from the 1,3,5-tris-(2'-biphenyl)ylbenzene precursor, and novel D-3h symmetrical HBCs were prepared from 1,3,5-tris-(2'-biphenyl)ylbenzenes with various substitution types. For the preparation of a tert-butyl containing HBC 7 with D-2h symmetry, a two-step cyclodehydrogenation was required because of changes in the spin density distribution.

  DOI：

  10.1021/ol053043z

文献信息

• [EN] PROTON-CONDUCTING ORGANIC MATERIALS<br/>[FR] MATÉRIAUX ORGANIQUES CONDUCTEURS DE PROTONS
  申请人：MAX PLANCK GESELLSCHAFT

  公开号：WO2010139476A1

  公开（公告）日：2010-12-09

  Proton-conducting material having a degree of crystallinity of at least 30%, which comprises: i) at least one organic compound having the formula (I), R1(R2)m(R3)n wherein - R1 is an optionally fused aromatic, cyclic or polycyclic moiety comprising 1 to 200 carbon atoms, able to have 3 to 60 substituents; - the substituents R2 are identical or different and are each a group comprising at least one phosphonic acid moiety; - the substituents R3 are identical or different and are each hydrogen, a halogen atom, or a group having 1 to 60 carbon atoms; - m is a number within the range 3 to 60; - n is a number within the range 0 to 57; - m+n is within the range of 3 to 60; - said compound comprises at least 4, optionally fused, aromatic moieties, and ii) crystal water.

  具有至少30%结晶度的质子导体材料，包括：i) 至少一种具有以下式(I)的有机化合物，R1(R2)m(R3)n其中 - R1是一个可选的融合芳香、环状或多环基团，包含1至200个碳原子，能够有3至60个取代基； - 取代基R2是相同或不同的，每个都是包含至少一个膦酸基团的基团； - 取代基R3是相同或不同的，每个是氢、卤素原子或具有1至60个碳原子的基团； - m是在3至60范围内的数字； - n是在0至57范围内的数字； - m+n在3至60范围内； - 该化合物包括至少4个可选的融合芳香基团，以及ii) 晶体水。
• Hexa-<i>p</i><i>eri</i>-hexabenzocoronenes by Efficient Oxidative Cyclodehydrogenation:  The Role of the Oligophenylene Precursors
  作者：Xinliang Feng、Jishan Wu、Volk Enkelmann、Klaus Müllen

  DOI：10.1021/ol053043z

  日期：2006.3.1

  Oligophenylene precursors based on 1,3,5-tris-(2'-biphenyl)ylbenzene (4a) and 1,4-bis-(2'-biphenyl)yl-2,5-diphenylbenzene (5a) were prepared and utilized for efficient hexabenzocoronene (HBC) synthesis by cyclodehydrogenations. Parent HBC 6a was efficiently synthesized from the 1,3,5-tris-(2'-biphenyl)ylbenzene precursor, and novel D-3h symmetrical HBCs were prepared from 1,3,5-tris-(2'-biphenyl)ylbenzenes with various substitution types. For the preparation of a tert-butyl containing HBC 7 with D-2h symmetry, a two-step cyclodehydrogenation was required because of changes in the spin density distribution.