1-Brom-3-chlor-2-(trimethylsilyl)benzol | 134456-75-0

• 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-Brom-3-chlor-2-(trimethylsilyl)benzol
• 英文别名: 1-bromo-3-chloro-2-(trimethylsilyl)benzene；(2-Bromo-6-chlorophenyl)trimethylsilane；(2-bromo-6-chlorophenyl)-trimethylsilane
• CAS: 134456-75-0
• 化学式: C₉H₁₂BrClSi
• 分子量: 263.637
• InChiKey: SMGPNLRDDMUNEF-UHFFFAOYSA-N

物化性质

• 沸点：
  252.0±25.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.65
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 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-Brom-3-chlor-2-(trimethylsilyl)benzol 在 tris-(dibenzylideneacetone)dipalladium(0) 、 sodium t-butanolate 、 tri tert-butylphosphoniumtetrafluoroborate 作用下， 以 甲苯 为溶剂， 反应 44.0h， 生成
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND
  [FR] COMPOSÉ HÉTÉROCYCLIQUE ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE COMPRENANT LE COMPOSÉ HÉTÉROCYCLIQUE

  摘要：

  本发明涉及特定的杂环化合物，一种材料，优选为一种发射材料，用于包括所述特定杂环化合物的有机电致发光器件，包括所述特定杂环化合物的有机电致发光器件，包括所述有机电致发光器件的电子设备，包括至少一个主体和至少一个掺杂剂的发光层，其中掺杂剂包括所述特定的杂环化合物之一，以及在有机电致发光器件中使用所述杂环化合物。

  公开号：

  WO2021255698A1
• 作为产物：
  描述：

  三甲基氯硅烷 、 间氯溴苯 在 正丁基锂 、 二异丙胺 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 18.67h， 以92%的产率得到1-Brom-3-chlor-2-(trimethylsilyl)benzol
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND
  [FR] COMPOSÉ HÉTÉROCYCLIQUE ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE COMPRENANT LE COMPOSÉ HÉTÉROCYCLIQUE

  摘要：

  本发明涉及特定的杂环化合物，一种材料，优选为一种发射材料，用于包括所述特定杂环化合物的有机电致发光器件，包括所述特定杂环化合物的有机电致发光器件，包括所述有机电致发光器件的电子设备，包括至少一个主体和至少一个掺杂剂的发光层，其中掺杂剂包括所述特定的杂环化合物之一，以及在有机电致发光器件中使用所述杂环化合物。

  公开号：

  WO2021255698A1

文献信息

• [EN] HETEROCYCLIC COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE HETEROCYCLIC COMPOUND<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE ET DISPOSITIF ÉLECTROLUMINESCENT ORGANIQUE COMPRENANT CE COMPOSÉ HÉTÉROCYCLIQUE
  申请人：IDEMITSU KOSAN CO

  公开号：WO2022107064A1

  公开（公告）日：2022-05-27

  The present invention relates to specific heterocyclic compounds, a material, preferably an emitter material, for an organic electroluminescence device comprising said specific heterocyclic compounds, an organic electroluminescence device comprising said specific heterocyclic compounds, an electronic equipment comprising said organic electroluminescence device, a light emitting layer comprising at least one host and at least one dopant, wherein the dopant comprises at least one of said specific heterocyclic compounds, and the use of said heterocyclic compounds in an organic electroluminescence device.

  本发明涉及特定的杂环化合物，一种材料，优选为发射材料，用于包括所述特定杂环化合物的有机电致发光器件，包括所述特定杂环化合物的有机电致发光器件，包括所述有机电致发光器件的电子设备，包括至少一种主体和至少一种掺杂剂的发光层，其中掺杂剂包括所述特定杂环化合物之一，并且在有机电致发光器件中使用所述杂环化合物。
• Effenberger, Franz; Daub, Wolfgang, Chemische Berichte, 1991, vol. 124, # 9, p. 2113 - 2118
  作者：Effenberger, Franz、Daub, Wolfgang

  DOI：——

  日期：——
• Electrophilic ipso-iodination of silylated arylboronic acids
  作者：K. Durka、J. Górka、P. Kurach、S. Luliński、J. Serwatowski

  DOI：10.1016/j.jorganchem.2010.08.016

  日期：2010.11

  Silylated functionalized arylboronic acids were converted into corresponding iodinated arylboronic acids in good yields via the electrophilic ipso-desilylation effected with iodine chloride in refluxing CHCl3. Disilylated arylboronic acids were susceptible to diiodination. In addition, the structural characterization and reactivity of a novel sterically hindered ortho-silylated diarylborinic ester were reported. The potential of selected iodinated phenylboronic acids as monomers for the SuzukieMiyaura cross-coupling polymerization was demonstrated. (C) 2010 Elsevier B.V. All rights reserved.
• SMALL MOLECULE INHIBITORS OF KRAS PROTEINS
  申请人：[en]MERCK SHARP & DOHME LLC

  公开号：WO2024103010A1

  公开（公告）日：2024-05-16

  Compounds of Formula (I) or their pharmaceutically acceptable salts can inhibit the G12C, G12D, G12V, and/or G13D mutants of Kirsten rat sarcoma (KRAS) protein and are expected to have utility as therapeutic agents, for example, for treating cancer. The disclosure also provides pharmaceutical compositions which comprise compounds of Formula (I) or pharmaceutically acceptable salts thereof. The disclosure also relates to methods for use of the compounds or their pharmaceutically acceptable salts in the therapy and prophylaxis of cancer and for preparing pharmaceuticals for this purpose.
• Bromine as the Ortho-Directing Group in the Aromatic Metalation/Silylation of Substituted Bromobenzenes
  作者：Sergiusz Luliński、Janusz Serwatowski

  DOI：10.1021/jo034790h

  日期：2003.11.1

  The one-pot metalation/disilylation of selected bromobenzenes bearing electron-withdrawing substituents p-, m-, o-XC6H4Br (X = F, Cl, I, CN, CF3) using 2 equiv of lithium diisopropylamide (LDA) and 2 equiv of chlorotrimethylsilane (TMSCl) was investigated. The best results of disilylation were obtained for para-substituted bromobenzenes, but the regioselectivity of the reaction is strongly influenced by the ortho-directing power of the substituent. On the contrary, the disilylation of meta-substituted bromobenzenes was not efficient or even failed in some cases and hence monosilylated derivatives were isolated as major or sole products. Diverse reactivity was observed for ortho-substituted bromobenzenes, e.g., 2-bromobenzonitrile and 2-bromochlorobenzene, were converted into corresponding disilylated derivatives in a high and moderate yield, respectively, whereas 1-bromo-2-(trifluoromethyl)benzene underwent only monosilylation.