1-(2,4,6-trimethylphenyl)-3-(2-((2,4,6-trimethylphenyl)amino)ethyl)imidazolium chloride | 1057737-32-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(2,4,6-trimethylphenyl)-3-(2-((2,4,6-trimethylphenyl)amino)ethyl)imidazolium chloride
• 英文别名: 1-mesityl-3-(2-(mesitylamino)ethyl)-1H-imidazol-3-ium chloride
• CAS: 1057737-32-2
• 化学式: C₂₃H₃₀N₃*Cl
• 分子量: 383.964
• InChiKey: XCMMJIYHJOXXPY-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  1.73
• 重原子数：
  27.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  20.84
• 氢给体数：
  1.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  1-(2,4,6-trimethylphenyl)-3-(2-((2,4,6-trimethylphenyl)amino)ethyl)imidazolium chloride 以 氘代苯 、 甲苯 为溶剂， 反应 48.0h， 生成
  参考文献：
  名称：

  分子内NHC稳定的亚二甲基亚砜和亚锡烷基的合成与反应性

  摘要：

  The HOMO-LUMO energy gap of germylenes bearing C-NHC<^>N-amido chelate ligands has been calculated in order to find suitable candidates for the activation of small molecules. Identified as promising structures, intramolecularly NHCstabilized three-coordinate germylenes and stannylenes of type [E(C(NH)c boolean AND N-amido)C1] (E = Ge and Sn) were synthesized and characterized by NMR. spectroscopy and X-ray crystallography. Chlorido substitution at the E-ll center for tert-butoxido or hexamethyl disilazide ligands was also performed. Chlorido abstraction with NaBArF gave rise to cationic two-coordinate germylenes and stannylenes.

  DOI：

  10.1021/acs.organomet.6b00925
• 作为产物：
  描述：

  2,4,6-三甲基苯胺 在 硼烷二甲硫醚络合物 、 potassium carbonate 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 87.0h， 生成 1-(2,4,6-trimethylphenyl)-3-(2-((2,4,6-trimethylphenyl)amino)ethyl)imidazolium chloride
  参考文献：
  名称：

  分子内NHC稳定的亚二甲基亚砜和亚锡烷基的合成与反应性

  摘要：

  The HOMO-LUMO energy gap of germylenes bearing C-NHC<^>N-amido chelate ligands has been calculated in order to find suitable candidates for the activation of small molecules. Identified as promising structures, intramolecularly NHCstabilized three-coordinate germylenes and stannylenes of type [E(C(NH)c boolean AND N-amido)C1] (E = Ge and Sn) were synthesized and characterized by NMR. spectroscopy and X-ray crystallography. Chlorido substitution at the E-ll center for tert-butoxido or hexamethyl disilazide ligands was also performed. Chlorido abstraction with NaBArF gave rise to cationic two-coordinate germylenes and stannylenes.

  DOI：

  10.1021/acs.organomet.6b00925

文献信息

• Amine-tethered<i>N</i>-heterocyclic carbene complexes of rhodium(I)
  作者：Howard Jong、Brian O Patrick、Michael D Fryzuk

  DOI：10.1139/v08-082

  日期：2008.8.1

  results in the formation of the monodentate complexes, Mes[CNH]Rh(diene)Cl (where diene = 1,5-cyclooctadiene (COD): 3a; diene = 2,5-norbornadiene (NBD): 3b). Bidentate variants could be isolated as either a neutral species, Mes[CN]Rh(diene) 4a–4b, via deprotonation, or an ionic analogue such as [Mes[CNH]Rh(diene)]BF4 5a–5b by reaction with NaBF4. Compounds 4–5 are the first examples of rhodium compounds

  已经开发了一个新的基于铑-二烯的配合物家族，它结合了 N-杂环卡宾配体和 N-供体系链。配体表示为 Mes[CNH] 2 （其中 Mes[CNH] 为 2,4,6-Me3C6H2NC3H2NCH2CH2NH-2,4,6-Me3C6H2）和 Mes[CN] 表示酰胺形式。Mes[CNH] 配体的合成包括 N-甲基咪唑与 2-氯乙基-N-甲基苯胺在熔融条件下的反应，然后用 KN(SiMe3)2 去质子化。Mes[CNH] 与 [(二烯)RhCl]2 的反应导致形成单齿配合物 Mes[CNH]Rh(diene)Cl（其中二烯 = 1,5-环辛二烯 (COD)：3a；二烯 = 2,5-降冰片二烯 (NBD)：3b)。双齿变体可以分离为中性物质，Mes[CN]Rh(diene) 4a-4b，通过去质子化，或离子类似物，如 [Mes[CNH]Rh(diene)]BF4 5a-5b，通过与 NaBF4 反应