N-(3,5-di-tert-butyl-2-salicyl)-imidazole | 664996-44-5

• 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: N-(3,5-di-tert-butyl-2-salicyl)-imidazole
• 英文别名: N-(4,6-di-tert-butyl-2-hydroxybenzyl)imidazole；2-((1H-imidazol-1-yl)methyl)-4,6-di-tertbutylphenol；2,4-Di-tert-butyl-6-[(1H-imidazol-1-yl)methyl]phenol；2,4-ditert-butyl-6-(imidazol-1-ylmethyl)phenol
• CAS: 664996-44-5
• 化学式: C₁₈H₂₆N₂O
• 分子量: 286.417
• InChiKey: CSWYFKGFSXXOPX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  N-(3,5-di-tert-butyl-2-salicyl)-imidazole 在 sodium hexamethyldisilazane 作用下， 以 四氢呋喃 为溶剂， 反应 15.0h， 生成 1,2-bis(3,5-di-tert-butyl-2-hydroxybenzyl)imidazolium bromide
  参考文献：
  名称：

  Titanium N-heterocyclic carbene complexes incorporating an imidazolium-linked bis(phenol)Electronic supplementary information (ESI) available: full experimental, NMR and analytical data. See http://www.rsc.org/suppdata/cc/b3/b305745c/

  摘要：

  本文报道了芳氧基官能化的N-杂环卡宾配体（L）的钛配合物的合成和表征，其中三齿配体L与金属中心呈子午线状配位。

  DOI：

  10.1039/b305745c
• 作为产物：
  描述：

  2,4-di-tert-butyl-6-hydroxymethylphenol 在 三溴化磷 、 碳酸氢钠 作用下， 以 四氢呋喃 、 氯仿 为溶剂， 反应 15.0h， 生成 N-(3,5-di-tert-butyl-2-salicyl)-imidazole
  参考文献：
  名称：

  一种可聚合配体化合物、聚合物配体及其金属配合物

  摘要：

  本发明涉及一种可聚合配体化合物、聚合物配体及其金属配合物，还涉及催化剂载体和非均相催化剂，以及它们的制备方法。本发明的可聚合配体化合物，其同时具有双齿卡宾结构和可聚合基团，从而在聚合后形成在侧链具有双齿卡宾结构的聚合物配体，该聚合物配体与金属原子配位后形成的配合物可用作非均相催化剂。本发明的非均相催化剂的催化活性高、金属结合能力强、金属活性中心分布更均匀且与配体的协同作用更强。

  公开号：

  CN114057649B

文献信息

• New zirconium complexes supported by N-heterocyclic carbene (NHC) ligands: Synthesis and assessment of hydroamination catalytic properties
  作者：Sónia Barroso、Sara R.M.M. de Aguiar、Rui F. Munhá、Ana M. Martins

  DOI：10.1016/j.jorganchem.2013.11.041

  日期：2014.6

  Reactions of 2-(bromomethyl)-4,6-di-tert-butylphenol or 2-(bromomethyl)-4,6-bis(2-phenylpropan-2yl) phenol with 1H-imidazole led to syntheses of N, N-disubstituted imidazolium bromides presenting two methylene-bis(2,4-di-tert-butylphenol) ([H2L1]Br) or methylene-bis(2,4-di-tert-butylphenol) ([H2L2] Br) appended groups. Treatment of Zr(NMe2)(4) with [H2L1]Br or [H2L2]Br gave tethered NHC zirconium complexes of general formula [ZrL(NMe2)(THF)Br] (L = L-1, 7; L-2, 8). The bonding of the tridentate ligands to the metal adopts S-shape conformation. In solution a fluxional process between the left-and righthanded forms of the ligand is observed for both complexes. In agreement with the NMR spectra, the optimised structure obtained by DFT revealed octahedral geometry around zirconium with mutually trans Br and Ccarbene donors. Complexes 7 and 8 react with 2,2-diphenylpent-4-en-1-amine in a 1: 1 ratio to give the hydroamination product 2-methyl-4,4-diphenylpyrrolidine. In catalytic conditions, the systems deactivate and catalytic conversions are not observed. (C) 2013 Elsevier B. V. All rights reserved.
• Synthesis, Structural Analysis and Antimicrobial Activities of Novel Water Soluble Ionic Liquids Derived from N-Heterocyclic Carbene Salts
  作者：Ahmet Kunduracıoğlu、Özkan Gübe、Elif Esin Hameş-Kocabaş、Volkan Eyüpoğlu、Fatih Sönmez

  DOI：10.5562/cca2599

  日期：——

  Six N-heterocyclic Carbene based Ionic Liquids (ILs) have been synthesized by conventional methods. The ILs were spectroscopically characterized by NMR and FT-IR techniques. Their in vitro antimicrobial activities were determined towards gram-positive and gram-negative bacterias and yeast strains using minimum inhibition concentration (MIC) assay. The best inhibition performances were obtained with compound 1 due to its more hydrophilic nature compared with the others. It exhibited 1 mg L-1 MIC value against to the most bacteria while the others showed 4 mg L-1.
• Zirconium complexes of the tridentate bis(aryloxide)-N-heterocyclic-carbene ligand: Chloride and alkyl functionalized derivatives
  作者：Dao Zhang、Hidenori Aihara、Takahito Watanabe、Tsukasa Matsuo、Hiroyuki Kawaguchi

  DOI：10.1016/j.jorganchem.2006.03.044

  日期：2007.1

  The disodium salt of a bis(aryloxide)-N-heterocyclic-carbene dianionic ligand, Na-2[L], was prepared by reaction of 1,3-bis(4,6-di-tert-butyl-2-hydroxybenzyl)imidazolium bromide [H3L]Br with 3 equiv. of NaN(SiMe3)(2). Reaction of ZrCl4(thf)(2) with I equiv. of Na-2[L] gave a mixture of [L]ZrCl2(thf) (1) and [L](2)Zr (2). When the amount of Na-2[L] was increased to 2 equiv., the bis(bis(aryloxide)-N-heterocyclic-carbene) complex 2 was obtained in good yield. The dichloro complex I is a precursor to organometallic derivatives, and treatment with PhCH2MgCl or Me3SiCH2Li yielded [L]ZrR2 [R = CH2Ph (3), CH2SiMe3 (4)]. The disodium salt of the ligand Na2[L] is unstable and undergoes 1,2-benzyl migration, whereas zirconium complexes of the [L](2-) ligand are found to be thermally stable in solid and solution. The X-ray crystal structures of 1, 2, and 3 are described. (c) 2006 Elsevier B.V. All rights reserved.
• 一种可聚合配体化合物、聚合物配体及其金属配合物
  申请人：大赛璐（中国）投资有限公司

  公开号：CN114057649B

  公开（公告）日：2023-05-23

  本发明涉及一种可聚合配体化合物、聚合物配体及其金属配合物，还涉及催化剂载体和非均相催化剂，以及它们的制备方法。本发明的可聚合配体化合物，其同时具有双齿卡宾结构和可聚合基团，从而在聚合后形成在侧链具有双齿卡宾结构的聚合物配体，该聚合物配体与金属原子配位后形成的配合物可用作非均相催化剂。本发明的非均相催化剂的催化活性高、金属结合能力强、金属活性中心分布更均匀且与配体的协同作用更强。
• Titanium N-heterocyclic carbene complexes incorporating an imidazolium-linked bis(phenol)Electronic supplementary information (ESI) available: full experimental, NMR and analytical data. See http://www.rsc.org/suppdata/cc/b3/b305745c/
  作者：Hidenori Aihara、Tsukasa Matsuo、Hiroyuki Kawaguchi

  DOI：10.1039/b305745c

  日期：——

  The synthesis and characterization of titanium complexes of the aryloxido-functionalized N-heterocyclic carbene ligand (L) is reported, in which the tridentate L ligand meridionally coordinates to the metal center.

  本文报道了芳氧基官能化的N-杂环卡宾配体（L）的钛配合物的合成和表征，其中三齿配体L与金属中心呈子午线状配位。