1-methyl-2-methyl-4,5-dicyanoimidazole | 61053-16-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-methyl-2-methyl-4,5-dicyanoimidazole
• 英文别名: 1,2-Dimethylimidazole；1,2-dimethyl-1H-imidazole-4,5-dicarbonitrile；1,2-dimethylimidazole-4,5-dicarbonitrile
• CAS: 61053-16-5
• 化学式: C₇H₆N₄
• 分子量: 146.151
• InChiKey: FLCJYTVCMWZSGR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  65.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-methyl-2-methyl-4,5-dicyanoimidazole 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 溴 、 sodium acetate 、 乙酸酐 、 sodium carbonate 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 水 、 N,N-dimethyl-d₆-formamide 为溶剂， 反应 55.0h， 生成 N-(3-chloro-4-fluorophenyl)-1,2-dimethyl-4-(5-oxo-1,3a,4,5,6,6a-hexahydropentalen-2-yl)-1H-imidazole-5-carboxamide
  参考文献：
  名称：

  [EN] 5-MEMBERED HETEROARYL CARBOXAMIDE COMPOUNDS FOR TREATMENT OF HBV
  [FR] COMPOSÉS D'HÉTÉROARYLE CARBOXAMIDE À 5 CHAÎNONS POUR LE TRAITEMENT DU VHB

  摘要：

  本公开提供了部分5-成员杂环芳基羧酰胺化合物及其制药组合物，用于破坏HBV核心蛋白组装，并治疗乙型肝炎（HBV）感染的方法。

  公开号：

  WO2021216656A1
• 作为产物：
  描述：

  原乙酸三甲酯 、 二氨基马来腈 在 三乙胺 作用下， 反应 18.0h， 以76%的产率得到1-methyl-2-methyl-4,5-dicyanoimidazole
  参考文献：
  名称：

  1-Alkylation of 4,5-Dicyanoimidazole by Ortho Esters

  摘要：

  再次检验了邻醇酯与二氨基美克腈（1）或4,5-二氰基咪唑（3a）的反应后发现，可以通过一步法在不添加任何额外试剂的情况下高产率获得1-烷基-4,5-二氰基咪唑（4a-f）。这一简单的操作经济上与其他已知方法具有竞争力。先前报道的类似反应的几个产物已证明是二氨基美克腈的咪唑酯，2b和7。

  DOI：

  10.1055/s-1991-26384

文献信息

• New Acetylenic Monomers and Polymers from 4,5-Dicyanoimidazole
  作者：Crystal G. Densmore、Paul G. Rasmussen

  DOI：10.1021/ma035920r

  日期：2004.8.1

  An efficient synthesis of 1-methyl-2-ethynyl-4,5-dicyanoimidazole via Sonogashira coupling is described. Our optimized method generates 1-methyl-2-ethynyl-4,5-dicyanoimidazole in almost 80% yield from 1-methyl-2-bromo-4,5-dicyanoimidazole. Syntheses of the ethyl, propyl, and p-methoxybenzyl derivatives of 2-ethynyl-4,5-dicyanoimidazole are also reported. The polymerization of 1-methyl-2-ethynyl-4,5-dicyanoimidazole with transition-metal catalysts and triethylamine is described. Variation of catalyst concentration, reaction time, and temperature is also described. A more complete mechanistic picture of acetylene polymerizations, especially those with electron-withdrawing substituents, is presented. Solid samples of 1-methyl-2-ethynyl-4,5-dicyanoimidazole oligomers are EPR-active, and the number of free spins was quantified. Cyclic voltammetry was used to investigate the reduction of 1-methyl-2-ethynyl-4,5-dicyanoimidazole oligomers and other dicyanoimidazole derivatives.
• COLORING COMPOSITION FOR IMAGE FORMATION AND METHOD FOR IMPROVING OZONE RESISTANCE OF COLOR IMAGE
  申请人：FUJIFILM Corporation

  公开号：EP1377642B1

  公开（公告）日：2013-01-09
• Colored curable composition, color filter and method of producing thereof
  申请人：Mizukawa Yuki

  公开号：US20070117031A1

  公开（公告）日：2007-05-24

  A dye polymer prepared by polymerizing one or more pigment monomer represented by formula (I), or a dye polymer prepared by copolymerizing one or more pigment monomer represented by formula (I) and one or more monomer having one ethylene group. [R 1 : H, chlorine atom, alkyl group, or aryl group; L 1 : —N(R 2 )C(═O)—, —OC(═O)—, —C(═O)N(R 2 )—, —C(═O)O—, or a group represented by formula (II), formula (III), or formula (IV); R 2 : H, alkyl group, aryl group, or hetero cyclic group; L 2 : divalent coupler for coupling L 1 and Dye; n=0 or 1, m=0 or 1; Dye: pigment residue]
• ORGANIC ELECTROLUMINESCENCE ELEMENT, NEW COMPOUND FOR THE SAME, DISPLAY DEVICE AND LIGHTING DEVICE USING THE SAME
  申请人：KATAKURA Rie

  公开号：US20110006670A1

  公开（公告）日：2011-01-13

  Disclosed is an organic electroluminescence element comprising an anode, a cathode and a plurality of organic compound layers between the anode and the cathode, provided that one of the organic compound layers is a light emitting layer containing a phosphorescence emitting compound, wherein at least one of the organic compound layers contains a compound represented by Formula (1), wherein, X represents O or S; Y 1 to Y 3 each represents a hydrogen atom, a substituent or a group represented by Formula (A) disclosed in the specification, provided that at least two of Y 1 to Y 3 are groups represented by Formula (A), not all of Y 1 to Y 3 are the same group, and at least one of the groups represented by Formula (A) has Ar of a carbazolyl group, or an azacarbazolyl group containing 2 to 5 nitrogen atoms.
• US7465344B2
  申请人：——

  公开号：US7465344B2

  公开（公告）日：2008-12-16