1,1'-(1,4-Phenylenebismethylene)bis(2,3-dimethyl-1H-imidazole-3-ium)

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,1'-(1,4-Phenylenebismethylene)bis(2,3-dimethyl-1H-imidazole-3-ium)
• 英文别名: 1-[[4-[(2,3-dimethylimidazol-3-ium-1-yl)methyl]phenyl]methyl]-2,3-dimethylimidazol-3-ium
• 化学式: C₁₈H₂₄N₄
• 分子量: 296.415
• InChiKey: MSGTUGWYWQIFTO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.65
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  17.62
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  copper(l) iodide 、 phenylenebis(methylene)bis(1,2-dimethyl-1H-imidazol-3-ium) dichloride 、 potassium iodide 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 以50%的产率得到1,1'-(1,4-Phenylenebismethylene)bis(2,3-dimethyl-1H-imidazole-3-ium)
  参考文献：
  名称：

  The subtle effect of methyl substituent in C2-symmetric template on the formation of halocluster hybrids

  摘要：

  Six novel haloclusters, namely {[dmb](2)[Cu4I8]}center dot 2DMF (1), {[ddb][Cu4I6]}(n) (2), {[dmb][Ag2I4]}(n) (3), {[ddb][Ag4I6]}(n) (4), {[dmb](2)[Ag2Br6]} (5) and {[ddb][Ag4Br6]}(n) (6), were encountered in our investigation of the subtle template effect of methyl substituent on the formation of hybrids. The dications we chosen as C-2-symmetric template is alpha,alpha'-di(3-methylimidozole-1-yl)benzene dichloride (abbreviated into dmb) or alpha,alpha'-di(2,3-dimethylimidozole-1-yl)benzene dichloride (abbreviated into ddb). The X-ray crystallography shows the more methyl substituents that exist in template, the more inorganic/organic interactions form in the hybrid net oriented by ddb. It is the H-bonds and electrostatic interactions between the organic counteractions and inorganic moieties that do the contribution to the crystal packing. These compounds have been further characterized by IR spectroscopy, UV-Vis spectra and thermostability properties. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2013.09.029

文献信息

• CRYSTALLINE GERMANOSILICATE MATERIALS OF NEW CIT-13 TOPOLOGY AND METHODS OF PREPARING THE SAME
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20160346771A1

  公开（公告）日：2016-12-01

  The present disclosure is directed to novel crystalline germanosilicate compositions and methods of producing the same. In particular, the crystalline germanosilicate compositions are extra-large-pore compositions, designated CIT-13 possessing 10- and 14-membered rings. The disclosure describes methods of preparing these compositions using substituted benzyl-imidazolium organic structure-directing agents (OSDAs). Also disclosed are methods of using these crystalline compositions.
• [EN] CRYSTALLINE GERMANOSILICATE MATERIALS OF NEW CIT-13 TOPOLOGY AND METHODS OF PREPARING THE SAME<br/>[FR] MATÉRIAUX À BASE DE GERMANOSILICATE CRISTALLIN D'UNE NOUVELLE TOPOLOGIE CIT-13 ET LEURS PROCÉDÉS DE PRÉPARATION
  申请人：SCHMIDT JOEL E

  公开号：WO2016196533A1

  公开（公告）日：2016-12-08

  The present disclosure is directed to novel crystalline germanosilicate compositions and methods of producing the same. In particular, the crystalline germanosilicate compositions are extra-large-pore compositions, designated CIT-13 possessing 10- and 14- membered rings. The disclosure describes methods of preparing these compositions using substituted benzyl- imidazolium organic structure-directing agents (OSDAs). Also disclosed are methods of using these crystalline compositions.