[3-(2,6-di-isopropylphenyl)-(1-acetic acid)]-imidazolium bromide | 1084725-74-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: [3-(2,6-di-isopropylphenyl)-(1-acetic acid)]-imidazolium bromide
• 英文别名: 2-[3-[2,6-Di(propan-2-yl)phenyl]imidazol-1-ium-1-yl]acetic acid;bromide
• CAS: 1084725-74-5
• 化学式: Br*C₁₇H₂₃N₂O₂
• 分子量: 367.286
• InChiKey: IIBIQXGYXVVFPI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  46.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [3-(2,6-di-isopropylphenyl)-(1-acetic acid)]-imidazolium bromide 在 氨 作用下， 反应 0.25h， 以82%的产率得到[3-(2,6-di-isopropylphenyl)-(1-α-acetate)]imidazolium
  参考文献：
  名称：

  Copper and palladium complexes with N-heterocyclic carbene ligands functionalised with carboxylate groups

  摘要：

  The new imidazolium salts functionalised with the trimethylsilyl ester group 1a-c, were easily obtained by quaternisation of alkyl- or aryl-imidazoles with trimethylsilyl bromoacetate. Salt 1a was isolated and fully characterised. It reacted with mesityl copper (Cu(5)Mes(5)) under trimethylsilyl abstraction to form the complex 2. Methanolysis of 1a-c gave good yields of the carboxylic acid functionalised imidazolium salts 3a-c. Deprotonation of the latter in liquid ammonia led to the zwitterionic imidazolium carboxylates 4a-c. Reaction of 4a with (Cu(5)Mes(5)) gave solutions from which the insoluble polymeric 5a crystallised slowly. Generation of the carboxylate-functionalised NHC in situ followed by reaction with Pd(OOCCH3)(2) gave the new complex 6a in which the NHC-carboxylate ligand is chelate bidentate. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.07.017
• 作为产物：
  描述：

  甲硅烷基溴代乙酸三甲酯 、 1-(2,6-二异丙基苯基)-1H-咪唑 在 甲醇 作用下， 以 1,4-二氧六环 、 二氯甲烷 为溶剂， 反应 0.5h， 以67%的产率得到[3-(2,6-di-isopropylphenyl)-(1-acetic acid)]-imidazolium bromide
  参考文献：
  名称：

  Copper and palladium complexes with N-heterocyclic carbene ligands functionalised with carboxylate groups

  摘要：

  The new imidazolium salts functionalised with the trimethylsilyl ester group 1a-c, were easily obtained by quaternisation of alkyl- or aryl-imidazoles with trimethylsilyl bromoacetate. Salt 1a was isolated and fully characterised. It reacted with mesityl copper (Cu(5)Mes(5)) under trimethylsilyl abstraction to form the complex 2. Methanolysis of 1a-c gave good yields of the carboxylic acid functionalised imidazolium salts 3a-c. Deprotonation of the latter in liquid ammonia led to the zwitterionic imidazolium carboxylates 4a-c. Reaction of 4a with (Cu(5)Mes(5)) gave solutions from which the insoluble polymeric 5a crystallised slowly. Generation of the carboxylate-functionalised NHC in situ followed by reaction with Pd(OOCCH3)(2) gave the new complex 6a in which the NHC-carboxylate ligand is chelate bidentate. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2008.07.017

文献信息

• [EN] CATALYST COMPOSITION FOR PREPARING POLYKETONE COMPOUND, PALLADIUM MIXED CATALYST SYSTEM, METHOD FOR PREPARING POLYKETONE COMPOUND USING SAME, AND POLYKETONE POLYMER<br/>[FR] COMPOSITION CATALYTIQUE POUR LA PRÉPARATION D'UN COMPOSÉ DE TYPE POLYCÉTONE, SYSTÈME CATALYTIQUE MIXTE À BASE DE PALLADIUM, PROCÉDÉ DE PRÉPARATION D'UN COMPOSÉ DE TYPE POLYCÉTONE L'UTILISANT ET POLYMÈRE DE POLYCÉTONE<br/>[KO] 폴리케톤 화합물 제조용 촉매 조성물, 팔라듐 혼합 촉매 시스템, 이를 이용한 폴리케톤 화합물 제조 방법 및 폴리케톤 중합체
  申请人：UNIV AJOU IND ACADEMIC COOP FOUND

  公开号：WO2018034549A1

  公开（公告）日：2018-02-22

  본 발명의 술폰산기로 표면개질된 담체 또는 카르복시산기를 포함하는 탄소수 5 내지 40의 오늄염(onium salt) 화합물; 및 팔라듐계 촉매; 를 포함하는 폴리케톤 화합물 제조용 촉매 조성물에 관한 것이다. 이를 통해, 본 발명은 폴리케톤 제조에 고활성을 보이면서도 파울링을 방지할 수 있는 팔라듐 혼합 촉매 시스템을 제공할 수 있으며, 상기 팔라듐 혼합 촉매 시스템을 이용하여 파울링을 방지할 수 있고, 시드 투입의 생략이 가능하며, 중합 반응 시 안정성 및 활성도가 우수한 폴리케톤 화합물 제조 방법 및 이로부터 제조된 겉보기 밀도가 높은 폴리케톤 중합체를 제공할 수 있다.