3-(3-(tert-butyl)-5-formyl-4-hydroxybenzyl)-1-butyl-1H-imidazol-3-ium chloride | 1580446-08-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-(3-(tert-butyl)-5-formyl-4-hydroxybenzyl)-1-butyl-1H-imidazol-3-ium chloride
• CAS: 1580446-08-7
• 化学式: C₁₉H₂₇N₂O₂*Cl
• 分子量: 350.889
• InChiKey: VEWQVYJIKHVHSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.44
• 重原子数：
  24.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  46.11
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-(3-(tert-butyl)-5-formyl-4-hydroxybenzyl)-1-butyl-1H-imidazol-3-ium chloride 、 (1R,2R)-1,2-diaminocyclohexane 以 乙醇 为溶剂， 反应 5.0h， 生成 N,N'-bis(3-tert-butyl-5-((1-butylimidazolium)methylene)salicylidene)-trans-1,2-cyclohexanediamine dichloride
  参考文献：
  名称：

  Catalytic asymmetric cycloaddition of CO2 to epoxides via chiral bifunctional ionic liquids

  摘要：

  A series of new chiral ionic liquid catalysts composed of the N,N'-bis(salicyclidene) cyclohexene diaminatocobalt and an imidazolium salt were designed, prepared and applied for the chiral cyclic carbonate synthesis from racemic epoxides and carbon dioxide. All reactions exhibit good enantioselectivity for the chiral cyclic carbonate without polycarbonate and other by-products. The order of The order of catalytic activity toward the axial anions is OAc- > CF3CO2- > CCl3CO2- > OTs- and the order of enantioselectivity is OTs- > OAc- > CCl3CO2- > CF3CO2-. (C) 2015 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcata.2015.10.008
• 作为产物：
  描述：

  2-叔丁基苯酚 在 盐酸 、 四丁基溴化铵 、 三乙胺 、 magnesium chloride 作用下， 以 水 、 甲苯 、 乙腈 为溶剂， 反应 96.0h， 生成 3-(3-(tert-butyl)-5-formyl-4-hydroxybenzyl)-1-butyl-1H-imidazol-3-ium chloride
  参考文献：
  名称：

  Toward new classes of potent antibiotics: Synthesis and antimicrobial activity of novel metallosaldach–imidazolium salts

  摘要：

  Imidazolium salts (Im(+)-(RR3)-R-2-Cl-) attached to the N,N'-bis(salicylidene)-(+/-)-trans-1,2-diamino-cyclohexane (saldach) backbone (4a-f) have been designed and successfully applied for the synthesis of the corresponding mononuclear complexes with Mn(III) and Fe(III) ions. The molecular structures of the saldach ligands H-2(R-1)(2)saldach(Im(+)-(RR3)-R-2-Cl-)(2) (R-1 = H, tert-Bu, R-2 = H, Et, n-Bu, R-3 = H, Me) and their [M(III)Cl{(R-1)(2)saldach(Im(+)-(RR3)-R-2-Cl-)(2)}] (M = Mn, Fe) complexes have been established. The free ligands exist as the phenol-OH and not as the zwitterionic (imine)N-H+center dot center dot center dot O-(phenol) tautomer. Antimicrobial activity of the target compounds revealed higher potent antibacterial activity against Salmonella aureus, B. subtilis while less effective against E. coli and C albicans and inactivity against A. flavus. Compound (4d) and its Fe(III) complex (6d) exhibit remarkable extra-potent bactericidal activity. (C) 2014 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2013.09.029