2-甲基-1-苯基-1H-苯并[d]咪唑-5-甲腈 | 63339-94-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 2-甲基-1-苯基-1H-苯并[d]咪唑-5-甲腈
• 英文名称: 2-methyl-1-phenyl-1H-benzimidazole-5-carbonitrile
• 英文别名: 2-Methyl-1-phenyl-1H-benzimidazol-5-carbonitril；5-cyano-2-methyl-1-phenyl-1H-benzimidazole；2-Methyl-1-phenyl-1H-benzo[d]imidazole-5-carbonitrile；2-methyl-1-phenylbenzimidazole-5-carbonitrile
• CAS: 63339-94-6
• 化学式: C₁₅H₁₁N₃
• 分子量: 233.272
• InChiKey: KMNQFPMSZAJXGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  18
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  41.6
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  苯胺 在 ammonium sulfide 、 乙醇 、 sodium acetate 作用下， 生成 2-甲基-1-苯基-1H-苯并[d]咪唑-5-甲腈
  参考文献：
  名称：

  Borsche; Stackmann; Makaroff-Semljanski, Chemische Berichte, 1916, vol. 49, p. 2230

  摘要：

  DOI：

文献信息

• A regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles
  申请人：sanofi-aventis

  公开号：EP1878724A1

  公开（公告）日：2008-01-16

  The present invention relates to a process for the regioselective synthesis of compounds of the formula I, wherein R0; R1; R2; R3; R4; R5; A1; A2; A3; A4, Q and J have the meanings indicated in the claims. The present invention provides a direct palladium catalyzed, regioselective process to a wide variety of unsymmetrical, multifunctional N-substituted benzimidazoles or azabenzimidazoles of formula I starting from 2-halo-nitroarenes and N-substituted amides useful for the production of pharmaceuticals, diagnostic agents, liquid crystals, polymers, herbicides, fungicidals, nematicidals, parasiticides, insecticides, acaricitdes and arthropodicides.

  本发明涉及一种用于合成式I化合物的区域选择性合成过程，其中R0；R1；R2；R3；R4；R5；A1；A2；A3；A4，Q和J的含义如权利要求中所示。本发明提供了一种直接钯催化的、区域选择性的过程，可从2-卤代硝基芳烃和N-取代酰胺出发，合成多种非对称的、多功能的N-取代苯并咪唑或氮代苯并咪唑的式I化合物，用于生产药物、诊断试剂、液晶、聚合物、除草剂、杀菌剂、线虫杀灭剂、杀虫剂、螨虫剂和节肢动物杀虫剂。
• Novel organic electroluminescent compounds and organic electroluminescent device using the same
  申请人：Gracel Display Inc.

  公开号：EP2067767A1

  公开（公告）日：2009-06-10

  The present invention relates to novel organic electroluminescent compounds, and organic electroluminescent devices comprising the same. Specifically, the organic electroluminescent compounds according to the invention are represented by Chemical Formula (1): wherein, total number of carbons in R3-Ar3- and R4-Ar4- is from 21 to 60. The electroluminescent compounds according to the present invention are green electroluminescent compounds, of which the luminous efficiency and device lifetime have been maximized.

  本发明涉及新型有机电致发光化合物，以及包括这些化合物的有机电致发光器件。具体来说，根据本发明的有机电致发光化合物由化学式（1）表示：其中，R3-Ar3-和R4-Ar4-中碳的总数为21到60。根据本发明的电致发光化合物为绿色电致发光化合物，其发光效率和器件寿命已被最大化。
• Regioselective palladium catalyzed synthesis of benzimidazoles and azabenzimidazoles
  申请人：ALONSO Jorge

  公开号：US20090203912A1

  公开（公告）日：2009-08-13

  The present invention relates to a process for the regioselective synthesis of compounds of the formula I, wherein R0; R1; R2; R3; R4; R5; A1; A2; A3; A4, Q and J have the meanings indicated in the claims. The present invention provides a direct palladium catalyzed, regioselective process to a wide variety of unsymmetrical, multifunctional N-substituted benzimidazoles or azabenzimidazoles of formula I starting from 2-halo-nitroarenes and N-substituted amides useful for the production of pharmaceuticals, diagnostic agents, liquid crystals, polymers, herbicides, fungicidals, nematicidals, parasiticides, insecticides, acaricides and arthropodicides.

  本发明涉及一种合成式I化合物的区域选择性合成方法，其中R0; R1; R2; R3; R4; R5; A1; A2; A3; A4，Q和J具有所述权利要求中指示的含义。本发明提供了一种直接钯催化的、区域选择性的过程，从2-卤代硝基芳烃和N-取代酰胺出发，合成了广泛的非对称、多功能的N-取代苯并咪唑或氮杂苯并咪唑式I化合物，用于制药、诊断试剂、液晶、聚合物、除草剂、杀菌剂、线虫杀灭剂、寄生虫杀灭剂、杀虫剂、螨虫杀灭剂和节肢动物杀灭剂的生产。
• A REGIOSELECTIVE PALLADIUM CATALYZED SYNTHESIS OF BENZIMIDAZOLES AND AZABENZIMIDAZOLES
  申请人：SANOFI

  公开号：EP2044033B1

  公开（公告）日：2012-02-08
• US8188282B2
  申请人：——

  公开号：US8188282B2

  公开（公告）日：2012-05-29