tris(4-bromophenyl)methylsilane | 1072785-76-2

• 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: tris(4-bromophenyl)methylsilane
• 英文别名: Tris(4-bromophenyl)(methyl)silane；tris(4-bromophenyl)-methylsilane
• CAS: 1072785-76-2
• 化学式: C₁₉H₁₅Br₃Si
• 分子量: 511.126
• InChiKey: HEEBIHCIMHXBBU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 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：

  tris(4-bromophenyl)methylsilane 在 三氯异氰尿酸 、 叔丁基锂 、 sodium hydroxide 作用下， 以 四氢呋喃 、 乙醚 、 二氯甲烷 、 水 、 正戊烷 为溶剂， 反应 6.0h， 生成 tris[4-(diisopropylhydroxysilyl)phenyl]methylsilane
  参考文献：
  名称：

  Cyclic trimer of tripodal trisilanol with new hydrogen bonding motif

  摘要：

  Tripodal trisilanols tris[4-(diisopropylhydroxysilyl)phenyll-phenylsilane and -methylsilane (3a and 3h) as well as 1,3,5-tris(diisopropylhydroxysilylmethyl)-2,4,6-triethylbenzene (3c) were synthesized by treatment of the corresponding tribromide with alkyl lithium or magnesium, followed by silylation with diisopropylchlorosilane, halogenation with trichloroisocyanuric acid (TCCA) or N-bromosuccinimide (NBS), and subsequent alkaline hydrolysis.X-ray analyses of the tripodal silanols (3a c) revealed the first example of a cyclic trimer in the silanol hydrogen bonding pattern. The connectivity of silanol hydrogen bonding in the silanol products was found to produce a 1D network, based on X-ray packing structures. Substituent effects for this new mode of silanol hydrogen bonding were estimated by hydrogen bonding energy [Efi_bond] based on DFT calculations. Other new silanol hydrogen bonding features were characterized using Bader's Atom in Molecules (AIM) analyses. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2015.09.041
• 作为产物：
  描述：

  三甲基氯硅烷 、 1,4-二溴苯 在 正丁基锂 作用下， 生成 tris(4-bromophenyl)methylsilane
  参考文献：
  名称：

  新型氰基官能化硅烷：合成，表征和二苯胺检测

  摘要：

  一系列新颖的以四面体硅为中心的氰基官能化硅烷，双（4-氰基二苯基）二甲基硅烷（1），双（4-氰基二苯基）二苯基硅烷（2），三（4-氰基二苯基）甲基硅烷（3），三（4-氰基二苯基））苯基硅烷（4）和四（4-氰基二苯基）硅烷（5）已经通过Suzuki偶联反应合成。它们均显示出高的热稳定性，并且在紫罗兰色至蓝色区域中具有强烈发射的荧光。此外，1 - 5都显示出与高线性荧光淬灭响应于二苯胺（DPA）结合常数高达1.0×10 6 中号-1 在二氯甲烷溶液中的应用，证明了其在DPA检测中的潜在应用。

  DOI：

  10.1016/j.jorganchem.2014.05.039

文献信息

• 알킬 실란계 호스트 화합물 및 이를 채용한 유기발광 소자
  申请人：Nepes CO., LTD. 주식회사 네패스(119981121373) Corp. No ▼ 154511-0002355BRN ▼303-81-05198

  公开号：KR20160106530A

  公开（公告）日：2016-09-12

  본 발명은 하기 화학식 1로 표시되는 알킬 실란계 호스트 화합물 및 이를 채용하는 유기발광 소자에 관한 것이다. 화학식 1 상기 화학식 1에서, R은 C-C 지방족 알킬 및 C-C인 시클로 알킬을 포함하는 군에서 선택되는 어느 하나이며, Ax 및 Ay는 각각 독립적으로 수소(H)원소 또는 디아릴포스핀옥사이드이고, 상기 Ar은 C-C 아릴 및 헤테로 아릴에서 선택되는 어느 하나이며, b는 1내지 5의 정수이다.

  该专利涉及一种被表示为化学式1的烷基硅烷基主体化合物及其用于有机发光器件的应用。在化学式1中，R代表从C-C脂肪族烷基和C-C环烷基中选择的任一种，Ax和Ay分别独立地代表氢原子（H）或二芳基膦氧化物，Ar代表从C-C芳基和杂环芳基中选择的任一种，b是1到5之间的整数。
• Synthesis and characterization of di-, tri- and tetraboronic acids based on phenyl- and thienylsilane cores
  作者：Krzysztof Gontarczyk、Krzysztof Durka、Piotr Klimkowski、Sergiusz Luliński、Janusz Serwatowski、Krzysztof Woźniak

  DOI：10.1016/j.jorganchem.2015.01.024

  日期：2015.5

  The synthesis of a series of di- tri- and tetraboronic acids based on respective phenyl- and thienylsilane cores is described. The optimal protocols involved lithiation of respective arylsilane precursors using either deprotonative lithiation or halogen/lithium exchange with n-BuLi followed by treatment of resultant intermediates with B(Oi-Pr)3 and subsequent hydrolysis, which afforded final products

  描述了基于各自的苯基和噻吩基硅烷核的一系列二硼酸和三硼酸的合成。最佳方案包括使用去质子化锂化或与正丁基锂进行卤素/锂交换，对各个芳基硅烷前体进行锂化，然后用B（O i -Pr）3处理所得中间体，然后进行水解，从而以高收率得到最终产物。确定了选定的二硼酸酯衍生物的X射线晶体结构，表明B（OH）2基团的氢键相互作用是控制超分子组装的主要因素。
• 시안계 호스트 화합물 및 이를 채용한 유기발광 소자
  申请人：Nepes CO., LTD. 주식회사 네패스(119981121373) Corp. No ▼ 154511-0002355BRN ▼303-81-05198

  公开号：KR20160027299A

  公开（公告）日：2016-03-10

  본 발명은 하기 화학식 1로 표시되는 시안계 호스트 화합물 및 이를 채용하는 유기발광 소자에 관한 것이다. 하기 화학식 1로 표시되는 시안계 호스트 화합물. 화학식 1 상기 화학식 1에서, R은 C-C 지방족 알킬 및 C-C인 시클로 알킬을 포함하는 군에서 선택되는 어느 하나이며, Ax 및 Ay는 각각 독립적으로 수소(H) 또는 시안(CN)이고, 상기 화학식 1의 화합물은 내부에 적어도 하나 이상의 시안(CN)을 포함하며, 상기 n은 1 내지 5의 정수이며, 상기 a 및 b는 각각 독립적으로 1 내지 3의 정수이며, a+b는 4이다.

  该专利涉及一种被表示为化学式1的氰基宿主化合物及采用该化合物的有机发光器件。化学式1所示的氰基宿主化合物。在化学式1中，R代表从包括C-C脂肪族烷基和C-C环烷基的基团中选择的任一基团，Ax和Ay分别独立地表示氢(H)或氰基(CN)，化合物在化学式1中至少包含一个氰基(CN)，其中n是1到5之间的整数，a和b分别独立地是1到3之间的整数，且a+b等于4。
• Synthesis of Nanostructured Organosilicon Luminophores Based on Phenyloxazoles
  作者：M. S. Skorotetcky、O. V. Borshchev、G. V. Cherkaev、S. A. Ponomarenko

  DOI：10.1134/s1070428019010056

  日期：2019.1

  A series of nanostructured organosilicon luminophores (NOLs) composed of a central 1,4-bis(5-phenyl-1,3-oxazol-2-yl)benzene (POPOP) acceptor chromophore and various peripheral p-terphenyl and 2,5-diphenyl-1,3-oxazole donor fragments have been synthesized for the first time using van Leusen reaction and direct palladium-catalyzed C-arylation of oxazole ring. Due to different functionalities of the silicon

  一系列纳米结构的有机硅发光体（NOL），由中心的1,4-双（5-苯基-1,3-恶唑-2-基）苯（POPOP）受体发色团和各种外围的对-叔苯基和2,5-组成使用van Leusen反应和直接钯催化的恶唑环的C-芳基化反应首次合成了二苯基-1,3-恶唑供体片段。由于硅分支中心的功能不同，已经获得了具有不同供体-受体比的NOL。期望合成的结构具有用于光子学和光电子学的良好的光学特性。
• Tetrahedral silicon-based luminescent molecules: Synthesis and comparison of thermal and photophysical properties by various effect factors
  作者：Dengxu Wang、Linlin Wang、Lei Xue、Debo Zhou、Shengyu Feng、Xian Zhao

  DOI：10.1016/j.jorganchem.2013.03.010

  日期：2013.7

  A series of luminescent molecules were presented employing the tetrahedral structural motif of the silicon atom, which further connected different N-containing heterocycle functional groups in their periphery using phenyl rings as the bridges. These compounds included three kinds of N-heterocycle functional silanes: imidazole derivatives (1a-h), pyrazole derivatives (2a-e) and benzimidazole derivatives (3a-b), and their structures were fully characterized by FT-IR, H-1 NMR, C-13 NMR and HRMS. The TGA results indicate that they all exhibit high thermal stabilities. The photophysical properties demonstrate that they are fluorescent in the violet-blue region and could be potentially applied as blue emitters for organic light-emitting diodes (OLEDs). The effect factors of sort, disposition and number of substituent groups and N-containing heterocycle functional groups on their thermal and photophysical properties were investigated. Molecular calculations were also performed to support the experimental results. Moreover, the computational results reveal that these compounds all exhibit relatively large HOMO-LUMO band gaps with the range from 4.82 eV (2d) to 5.19 eV (1a and 2c), making them become promising candidates as host materials for emitters and hole/electron blocking materials in OLEDs display. (C) 2013 Elsevier B.V. All rights reserved.