1-methyl-3-phenyl-1H-pyrrolo[2,3-c]pyridine | 1440038-50-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 1-methyl-3-phenyl-1H-pyrrolo[2,3-c]pyridine
• 英文别名: 1-Methyl-3-phenylpyrrolo[2,3-c]pyridine；1-methyl-3-phenylpyrrolo[2,3-c]pyridine
• CAS: 1440038-50-5
• 化学式: C₁₄H₁₂N₂
• 分子量: 208.263
• InChiKey: MZNMNNBLAWTSHU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 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：
  17.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  N,N-二甲基甲酰胺二甲基缩醛 、 3-phenyl-1H-pyrrolo[2,3-c]pyridine 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以73%的产率得到1-methyl-3-phenyl-1H-pyrrolo[2,3-c]pyridine
  参考文献：
  名称：

  Selective Methylation of NH-Containing Heterocycles and Sulfonamides Using N,N-Dimethylformamide Dimethylacetal Based on Calculated pKa Measurements

  摘要：

  The use of N,N-dimethylformamide dimethylacetal (DMF-DMA) as a suitable methylating agent for the methylation of NH-containing groups and heterocycles has been investigated. Use of ReactArray and calculated pK(a) measurements have allowed additional helpful information to be collated to determine optimum reaction conditions for a variety of substrates.

  DOI：

  10.1055/s-0032-1318315

文献信息

• Selective Methylation of NH-Containing Heterocycles and Sulfonamides Using N,N-Dimethylformamide Dimethylacetal Based on Calculated pKa Measurements
  作者：Gary Fairley、Catherine Hall、Ryan Greenwood

  DOI：10.1055/s-0032-1318315

  日期：——

  The use of N,N-dimethylformamide dimethylacetal (DMF-DMA) as a suitable methylating agent for the methylation of NH-containing groups and heterocycles has been investigated. Use of ReactArray and calculated pK(a) measurements have allowed additional helpful information to be collated to determine optimum reaction conditions for a variety of substrates.