bis(3-(bromomethyl)-2,4,6-trimethylphenyl)methane | 913724-94-4

• 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: bis(3-(bromomethyl)-2,4,6-trimethylphenyl)methane
• 英文别名: 2-(Bromomethyl)-4-[[3-(bromomethyl)-2,4,6-trimethylphenyl]methyl]-1,3,5-trimethylbenzene；2-(bromomethyl)-4-[[3-(bromomethyl)-2,4,6-trimethylphenyl]methyl]-1,3,5-trimethylbenzene
• CAS: 913724-94-4
• 化学式: C₂₁H₂₆Br₂
• 分子量: 438.245
• InChiKey: KKQJMGVMQVPTAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.1
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 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：

  bis(3-(bromomethyl)-2,4,6-trimethylphenyl)methane 、 聚合甲醛 在 氢溴酸 、 zinc dibromide 作用下， 以 溶剂黄146 为溶剂， 反应 8.5h， 以76%的产率得到3,3',5,5'-tetrakis(bromomethyl)-2,2',4,4',6,6'-hexamethyldiphenylmethane
  参考文献：
  名称：

  Recognition properties of receptors based on dimesitylmethane-derived core: Di- vs. monosaccharide preference

  摘要：

  二甲基甲烷衍生的受体 12 和 13 包含四个能够充当氢键位点的杂环识别基团，旨在识别二糖。 1H NMR 和荧光光谱滴定表明，化合物 12 和 13 对 α- 和 β- 麦芽糖苷具有高结合亲和力，并且在有机介质中具有强烈的二糖偏爱性。实验数据和分子模型计算表明，氢键以及糖CH与受体苯环的相互作用都有助于受体-糖复合物的稳定。

  DOI：

  10.1039/b901173k
• 作为产物：
  描述：

  聚合甲醛 、 二荚基甲烷 在 氢溴酸 作用下， 以 溶剂黄146 为溶剂， 以96%的产率得到bis(3-(bromomethyl)-2,4,6-trimethylphenyl)methane
  参考文献：
  名称：

  Recognition properties of receptors based on dimesitylmethane-derived core: Di- vs. monosaccharide preference

  摘要：

  二甲基甲烷衍生的受体 12 和 13 包含四个能够充当氢键位点的杂环识别基团，旨在识别二糖。 1H NMR 和荧光光谱滴定表明，化合物 12 和 13 对 α- 和 β- 麦芽糖苷具有高结合亲和力，并且在有机介质中具有强烈的二糖偏爱性。实验数据和分子模型计算表明，氢键以及糖CH与受体苯环的相互作用都有助于受体-糖复合物的稳定。

  DOI：

  10.1039/b901173k

文献信息

• Square‐Planar Diacetatopalladium Complexes with <i>trans</i> ‐Configured Secondary Amine Ligands that Avoid Orthometalation: Ligand Synthesis, Coordination, Molecular Structure and Catalytic Potential for Suzuki Cross‐Coupling Reactions
  作者：Ludovic Chahen、Bruno Therrien、Georg Süss‐Fink

  DOI：10.1002/ejic.200700518

  日期：2007.11

  (LN∩NPh). The single-crystal X-ray structure analysis of complexes 1–3 confirms a trans arrangement of the two acetato groups and of the two nitrogen atoms. Orthometalation leading to palladacycles is impossible in all cases as the ortho positions in the benzylic rings are blocked by methyl substituents. All complexes are found to catalyze Suzuki cross-coupling reactions of deactivated and even sterically

  反式构型方形平面钯配合物 [Pd(OAc)2(LNtBu)2] (1), [Pd(OAc)2(η2-LN∩NtBu)] (2), [Pd(OAc)2(LNPh) )2] (3) 和 [Pd(OAc)2(η2-LN∩NPh)] (4) 是通过用胺 NHtBuCH2-2,4,6-Me3C6H2 (LNtBu) 或 NHPhCH2 处理乙酸钯合成的-2,4,6-Me3C6H2 (LNPh) 或与二胺 NHtBuCH2-2,4,6-Me3C6H-CH2-2,4,6-Me3C6H-CH2-NHtBu (LN∩NtBu) 或 NHPh-CH2-2， 4,6-Me3C6H-CH2-2,4,6-Me3C6H-CH2-NHPh (LN∩NPh)。配合物 1-3 的单晶 X 射线结构分析证实了两个乙酰基和两个氮原子的反式排列。导致钯环的邻位金属化在所有情况下都是不可能的，因为苄环中的邻位被甲基取代基封闭。发现
• Calix[4]arene-Analogous Technetium Supramolecules
  作者：Mamina Bhol、Guilhem Claude、Maximilian Roca Jungfer、Ulrich Abram、Malaichamy Sathiyendiran

  DOI：10.1021/acs.inorgchem.1c03691

  日期：2022.4.4

  Calix[4]arene-analogous technetium supramolecules (1 and 2) were assembled using (NBu4)[Tc2(μ-Cl)3(CO)6] and neutral flexible bidentate nitrogen-donor ligands (L1 and L2) consisting of four arene units covalently joined via methylene units. The neutral homoleptic technetium macrocycles adopt a partial cone/cone-shaped conformation in the solid state. These supramolecules are the first example of fac-[Tc(CO)3]+

  使用 (NBu 4 )[Tc 2 (μ-Cl) 3 (CO) 6 ] 和中性柔性二齿氮供体配体 (L 1和 L 2 )组装杯[4]芳烃类似的锝超分子 ( 1和2 )由四个通过亚甲基单元共价连接的芳烃单元组成。中性均配锝大环在固态采用部分锥形/锥形构象。这些超分子是fac -[Tc(CO) 3 ] +基于核的 metallocalix[4] 芳烃的第一个例子和fac -[ Tc (CO) 3 ] +的第二个例子基于核的金属大环。还使用[Re(CO) 5 X]（其中X = Cl或Br）和L 1或L 2制备了结构相似的fac- [Re(CO) 3 ] +基于核的大环化合物（3和4 ） 。通过光谱和 X 射线分析对产物进行表征。
• Square-planar dichloro palladium complexes with trans-configurated phosphine ligands avoiding ortho-metallation: Ligand design, complex synthesis, molecular structure and catalytic potential for Suzuki cross-coupling reactions
  作者：Ludovic Chahen、Bruno Therrien、Georg Süss-Fink

  DOI：10.1016/j.jorganchem.2006.06.020

  日期：2006.10

  The square-planar palladium complexes trans-[PdCl2(PPh2-CH2-2,4,6-C6H2Me3)(2)] (1) and trans-[PdCl2(eta(2)-PPh2-CH2-2,4,6-C6HMe3-CH2-2,4,6-C6HMe3-CH2-PPh2)] (2) have been synthesized from [PdCl2(cod)] (cod = 1,5-cyclooctadiene) and the corresponding new phosphine or diphosphine ligands. The single-crystal X-ray structure analysis reveals for both complexes a trans arrangement of the two chlorine and of the two phosphorus atoms. In both cases, ortho-metallation leading to palladacycles is not possible, since all ortho positions in the benzylic rings of I and 2 are blocked by methyl substituents. Both complexes are found to catalyze Suzuki cross-coupling reactions of deactivated and even bulky arene substrates. (c) 2006 Elsevier B.V. All rights reserved.
• Recognition properties of receptors based on dimesitylmethane-derived core: Di- vs. monosaccharide preference
  作者：Monika Mazik、Arno C. Buthe

  DOI：10.1039/b901173k

  日期：——

  Dimesitylmethane-derived receptors 12 and 13, incorporating four heterocyclic recognition groups capable of serving as hydrogen bonding sites, were designed to recognize disaccharides. It has been shown by 1H NMR and fluorescence spectroscopic titrations that compounds 12 and 13 display high binding affinities toward α- and β-maltoside, as well as strong di- vsmonosaccharide preference in organic media. Both hydrogen-bonding and interactions of the sugar CH's with the phenyl rings of the receptor contribute to the stabilisation of the receptor–sugar complexes, as indicated by experimental data and molecular modeling calculations.

  二甲基甲烷衍生的受体 12 和 13 包含四个能够充当氢键位点的杂环识别基团，旨在识别二糖。 1H NMR 和荧光光谱滴定表明，化合物 12 和 13 对 α- 和 β- 麦芽糖苷具有高结合亲和力，并且在有机介质中具有强烈的二糖偏爱性。实验数据和分子模型计算表明，氢键以及糖CH与受体苯环的相互作用都有助于受体-糖复合物的稳定。