1,1'-(phenylmethylene)bis(1H-imidazole) | 74199-42-1

• 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'-(phenylmethylene)bis(1H-imidazole)
• 英文别名: 1H,1'H-1,1'-phenylmethanediyl-bis-imidazole；α,α-bis(imidazol-1-yl)-toluene；1-[Imidazol-1-yl(phenyl)methyl]imidazole
• CAS: 74199-42-1
• 化学式: C₁₃H₁₂N₄
• 分子量: 224.265
• InChiKey: CFUFQYGMVSPEFM-UHFFFAOYSA-N

物化性质

• 熔点：
  98-99 °C
• 沸点：
  453.1±33.0 °C(Predicted)
• 密度：
  1.19±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  35.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  9,10-二(溴甲基)蒽 、 1,1'-(phenylmethylene)bis(1H-imidazole) 在 四丁基溴化铵 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 48.0h， 以75%的产率得到
  参考文献：
  名称：

  Precise Tuning of Cationic Cyclophanes toward Highly Selective Fluorogenic Recognition of Specific Biophosphate Anions

  摘要：

  Cationic cyclophanes with bridging and spacer groups possess well-organized semirigid cavities and are able to encapsulate and stabilize anionic species through diverse molecular interactions. We highlight the precise tuning of functionalized cyclophanes toward selective recognition of AMP, GTP, and pyrophosphate (PPi) using fluorescence, NMR spectroscopy, and density functional theory (DFT).

  DOI：

  10.1021/ol500613y
• 作为产物：
  描述：

  苯甲醛 、 双(咪唑-1-基)亚砜 以 二氯甲烷 为溶剂， 反应 96.0h， 以30%的产率得到1,1'-(phenylmethylene)bis(1H-imidazole)
  参考文献：
  名称：

  Synthesis and antifungal activity of new 1-vinylimidazoles

  摘要：

  Carbonyl compounds I were subjected to an imidazole transfer reaction with N,N'-sulfinyldiimidazole or N,N'-carbonyldiimidazole to obtain the diimidazole II and the monoimidazole III. Various 1-vinylimidazoles IV, derived from o-hydroxyacetophenones by imidazole transfer reaction, were alkylated to furnish the title compounds V. The structure-activity relationships of these 1-vinylimidazole compounds V are described.

  DOI：

  10.1021/jm00391a014

文献信息

• OGATA, MASARU;MATSUMOTO, HIROSHI;SHIMIZU, SUMIO;KIDA, SHIRO;SHIRO, MOTOO;+, J. MED. CHEM., 30,(1987) N 8, 1348-1354
  作者：OGATA, MASARU、MATSUMOTO, HIROSHI、SHIMIZU, SUMIO、KIDA, SHIRO、SHIRO, MOTOO、+

  DOI：——

  日期：——
• [EN] DIIMIDAZOLE COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME<br/>[FR] COMPOSÉ DIIMIDAZOLE ET DISPOSITIF ORGANIQUE ÉLECTROLUMINESCENT COMPRENANT CE DERNIER
  申请人：DONGJIN SEMICHEM CO LTD

  公开号：WO2007119998A1

  公开（公告）日：2007-10-25

  [EN] The invention provides a diimidazole compound and an organic electroluminescent device using the same and more particularly, the diimidazole compounds according to the invention have excellent blue luminescent characteristics and hole transmission characteristics and at the same time, they not only can be used as a blue luminescent material or used as a host to a variety of phosphorescent or fluorescent dopants such as red, green, blue and white but also enable high efficient luminescence when applied to organic electroluminescent devices and can confer such performances as low voltage, high brightness and long lifetime.
  [FR] La présente invention concerne un composé diimidazole et un dispositif organique électroluminescent qui comprend ce dernier. Plus particulièrement, les composés diimidazole selon l'invention présentent d'excellentes caractéristiques de luminescence bleue et des caractéristiques de transmission des trous, de surcroît on peut les utiliser non seulement en tant que matière luminescente bleue ou en tant qu'hôte pour divers dopants phosphorescents ou fluorescents tels que le rouge, le vert, le bleu et le blanc mais ils produisent également une luminescence très efficiente lorsqu'on les utilise dans des dispositifs organiques électroluminescents et peuvent conférer des propriétés telles qu'une faible tension, une haute luminosité et une longue durée de vie.
• Synthesis and antifungal activity of new 1-vinylimidazoles
  作者：Masaru Ogata、Hiroshi Matsumoto、Sumio Shimizu、Shiro Kida、Motoo Shiro、Katsuya Tawara

  DOI：10.1021/jm00391a014

  日期：1987.8

  Carbonyl compounds I were subjected to an imidazole transfer reaction with N,N'-sulfinyldiimidazole or N,N'-carbonyldiimidazole to obtain the diimidazole II and the monoimidazole III. Various 1-vinylimidazoles IV, derived from o-hydroxyacetophenones by imidazole transfer reaction, were alkylated to furnish the title compounds V. The structure-activity relationships of these 1-vinylimidazole compounds V are described.
• Precise Tuning of Cationic Cyclophanes toward Highly Selective Fluorogenic Recognition of Specific Biophosphate Anions
  作者：Muhammad Yousuf、Nisar Ahmed、Bahareh Shirinfar、Vijay Madhav Miriyala、Il Seung Youn、Kwang S. Kim

  DOI：10.1021/ol500613y

  日期：2014.4.18

  Cationic cyclophanes with bridging and spacer groups possess well-organized semirigid cavities and are able to encapsulate and stabilize anionic species through diverse molecular interactions. We highlight the precise tuning of functionalized cyclophanes toward selective recognition of AMP, GTP, and pyrophosphate (PPi) using fluorescence, NMR spectroscopy, and density functional theory (DFT).

表征谱图