5-methyl-5H-4a,5,10-triaza-indeno[2,1-a]indene-3-carbonitrile | 1450663-25-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吲哚及其衍生物
• 英文名称: 5-methyl-5H-4a,5,10-triaza-indeno[2,1-a]indene-3-carbonitrile
• 英文别名: 16-Methyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene-4-carbonitrile；16-methyl-2,8,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-1(9),3,5,7,10,12,14-heptaene-4-carbonitrile
• CAS: 1450663-25-8
• 化学式: C₁₅H₁₀N₄
• 分子量: 246.271
• InChiKey: LJJNOGDKQJYWMG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  19
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  46
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-氨基-5-氰基吡啶 、 1-甲基靛红 在 1-butyl-3-methylimidazolium hydroxide 作用下， 反应 3.0h， 以89%的产率得到5-methyl-5H-4a,5,10-triaza-indeno[2,1-a]indene-3-carbonitrile
  参考文献：
  名称：

  Basic ionic liquid promoted heterocyclization to access fused imidazopyridines

  摘要：

  A single step access to fused imidazopyridine involving [bmIm]OH promoted click cyclocondensation of N-methylisatin with 2-aminopyridine has been achieved. The title heterocyclic scaffolds were obtained in excellent yield with high purity. [bmIm]OH was found to be more attractive as it plays the role of solvent, base, and catalyst. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2013.07.054

文献信息

• Basic ionic liquid promoted heterocyclization to access fused imidazopyridines
  作者：I.R. Siddiqui、Shireen、Shayna Shamim、Malik Abdul Waseem、Afaf A.H. Abumhdi、Arjita Srivastava、Anjali Srivastava

  DOI：10.1016/j.tetlet.2013.07.054

  日期：2013.9

  A single step access to fused imidazopyridine involving [bmIm]OH promoted click cyclocondensation of N-methylisatin with 2-aminopyridine has been achieved. The title heterocyclic scaffolds were obtained in excellent yield with high purity. [bmIm]OH was found to be more attractive as it plays the role of solvent, base, and catalyst. (C) 2013 Elsevier Ltd. All rights reserved.