4-(furan-2-yl)-6-phenylpyrimidin-2-ylamine | 82619-71-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 4-(furan-2-yl)-6-phenylpyrimidin-2-ylamine
• 英文别名: 2-Amino-4-(2'-furyl)-6-phenylpyrimidine；4-(Furan-2-yl)-6-phenylpyrimidin-2-amine
• CAS: 82619-71-4
• 化学式: C₁₄H₁₁N₃O
• 分子量: 237.261
• InChiKey: VEKUDJNZDQADCY-UHFFFAOYSA-N

物化性质

• 熔点：
  149.5-151 °C(Solv: ethanol (64-17-5))
• 沸点：
  476.0±37.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  64.9
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  (E)-3-(furan-2-yl)-1-phenyl-2-propen-1-one 在 氢氧化钾 、 双氧水 作用下， 以 乙醇 为溶剂， 生成 4-(furan-2-yl)-6-phenylpyrimidin-2-ylamine
  参考文献：
  名称：

  Solution-phase parallel synthesis of 4,6-diaryl-pyrimidine-2-ylamines and 2-amino-5,5-disubstituted-3,5-dihydro-imidazol-4-ones via a rearrangement

  摘要：

  The reaction of chalcones and guanidine was investigated in the presence of an oxidizing agent. Depending on the order of the addition either a 4,6-diaryl-pyriniidine-2-ylamine or 2-aniino-5,5-disubstituted-3,5-dihydro-imidazol-4-one was obtained. The structures of the imidazolinones were elucidated by NMR spectroscopy and X-ray crystallography and for its formation a mechanism was proposed. (C) 2003 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(02)01560-0

文献信息

• Heterocycles. Part I. A new route to the synthesis of substituted 2-aminopyrimidines
  作者：N. R. El-Rayyes

  DOI：10.1002/jhet.5570190240

  日期：1982.3

  Heterocyclic aldehydes (A) reacted with alkyl aryl ketones (B) to give the corresponding 1,3-diaryl-2-propen-1-ones (Ia-1). Condensation of these chalcones with guanidine produced the corresponding 2-amino-4,6-diarylpyrimidines (IIa-1). The structure of all products was substantiated by chemical and spectroscopic methods.

  杂环醛（A）与烷基芳基酮（B）反应，得到相应的1,3-二芳基-2-丙烯-1-酮（Ia-1）。这些查耳酮与胍的缩合产生相应的2-氨基-4,6-二芳基嘧啶（IIa-1）。所有产品的结构均通过化学和光谱法证实。
• EL-RAYYES, N. R., J. HETEROCYCL. CHEM., 1982, 19, N 2, 415-419
  作者：EL-RAYYES, N. R.

  DOI：——

  日期：——
• Solution-phase parallel synthesis of 4,6-diaryl-pyrimidine-2-ylamines and 2-amino-5,5-disubstituted-3,5-dihydro-imidazol-4-ones via a rearrangement
  作者：László Varga、Tamás Nagy、István Kövesdi、Jordi Benet-Buchholz、György Dormán、László Ürge、Ferenc Darvas

  DOI：10.1016/s0040-4020(02)01560-0

  日期：2003.1

  The reaction of chalcones and guanidine was investigated in the presence of an oxidizing agent. Depending on the order of the addition either a 4,6-diaryl-pyriniidine-2-ylamine or 2-aniino-5,5-disubstituted-3,5-dihydro-imidazol-4-one was obtained. The structures of the imidazolinones were elucidated by NMR spectroscopy and X-ray crystallography and for its formation a mechanism was proposed. (C) 2003 Published by Elsevier Science Ltd.