4-氨基-2-苯胺基-6-苯基嘧啶-5-甲腈 | 118965-88-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 4-氨基-2-苯胺基-6-苯基嘧啶-5-甲腈
• 英文名称: 4-amino-6-phenyl-2-(phenylamino)pyrimidine-5-carbonitrile
• 英文别名: 4-Amino-2-anilino-6-phenylpyrimidine-5-carbonitrile；4-amino-2-anilino-6-phenylpyrimidine-5-carbonitrile
• CAS: 118965-88-1
• 化学式: C₁₇H₁₃N₅
• 分子量: 287.324
• InChiKey: RCTSUAPXONSSHY-UHFFFAOYSA-N

物化性质

• 沸点：
  600.8±65.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.6
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苯甲醛 在 caesium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 5.0h， 生成 4-氨基-2-苯胺基-6-苯基嘧啶-5-甲腈
  参考文献：
  名称：

  Synthesis of N2-arylaminopyrimidine-5-carbonitrile derivatives via SNAr amination reaction

  摘要：

  An efficient and high-yielding synthesis of N-2-arylaminopyrimidine-5-carbonitrile derivatives starting from arylamines and 2-methylthio-pyrimidine-5-carbonitrile derivatives has been developed in the presence of cesium carbonate as basic reagent. This new protocol showed high chemical tolerance for a range of functional groups, and only the methylthio substituent on C2 of the pyrimidine ring was replaced with arylamine derivatives under the reaction conditions. (C) 2014 Shahnaz Rostamizadeh. Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. All rights reserved.

  DOI：

  10.1016/j.cclet.2014.10.007

文献信息

• Synthesis of N2-arylaminopyrimidine-5-carbonitrile derivatives via SNAr amination reaction
  作者：Shahnaz Rostamizadeh、Masoomeh Nojavan、Reza Aryan

  DOI：10.1016/j.cclet.2014.10.007

  日期：2015.1

  An efficient and high-yielding synthesis of N-2-arylaminopyrimidine-5-carbonitrile derivatives starting from arylamines and 2-methylthio-pyrimidine-5-carbonitrile derivatives has been developed in the presence of cesium carbonate as basic reagent. This new protocol showed high chemical tolerance for a range of functional groups, and only the methylthio substituent on C2 of the pyrimidine ring was replaced with arylamine derivatives under the reaction conditions. (C) 2014 Shahnaz Rostamizadeh. Published by Elsevier B.V. on behalf of Chinese Chemical Society and Institute of Materia Medica, Chinese Academy of Medical Sciences. All rights reserved.