4-amino-5-N-tert-butyliminomethyl-2-methylthio-6-phenylethynylpyrimidine | 867193-36-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 4-amino-5-N-tert-butyliminomethyl-2-methylthio-6-phenylethynylpyrimidine
• 英文别名: 4-Amino-5-t-butyliminomethyl-2-methylthio-6-(phenylethynyl)pyrimidine；5-(tert-butyliminomethyl)-2-methylsulfanyl-6-(2-phenylethynyl)pyrimidin-4-amine
• CAS: 867193-36-0
• 化学式: C₁₈H₂₀N₄S
• 分子量: 324.45
• InChiKey: KKIMKOQFJRRMAI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  89.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-amino-5-N-tert-butyliminomethyl-2-methylthio-6-phenylethynylpyrimidine 在 叔丁胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-amino-2-methylthio-7-phenylpyrido[4,3-d]pyrimidine
  参考文献：
  名称：

  Study on the cyclization of 6-arylethynylpyrimidine-5-carbaldehydes with tert-butylamine: microwave versus thermal preparation of pyrido[4,3-d]pyrimidines

  摘要：

  Thermal and microwave initiated cyclization of 2,4-disubstituted 6-arylethynylpyrimidine-5-carbaldehydes with tert-butylamine has been studied. A novel high-yielding preparation of 2,4-disubstituted 7-arylpyrido[4,3-d]pyrimidines has been developed. The intermediate compounds were isolated and possible mechanism of the reactions is discussed. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.015
• 作为产物：
  描述：

  4-amino-2-methylthio-6-(phenylethynyl)pyrimidine-5-carbaldehyde 、 叔丁胺 反应 24.0h， 以93%的产率得到4-amino-5-N-tert-butyliminomethyl-2-methylthio-6-phenylethynylpyrimidine
  参考文献：
  名称：

  Study on the cyclization of 6-arylethynylpyrimidine-5-carbaldehydes with tert-butylamine: microwave versus thermal preparation of pyrido[4,3-d]pyrimidines

  摘要：

  Thermal and microwave initiated cyclization of 2,4-disubstituted 6-arylethynylpyrimidine-5-carbaldehydes with tert-butylamine has been studied. A novel high-yielding preparation of 2,4-disubstituted 7-arylpyrido[4,3-d]pyrimidines has been developed. The intermediate compounds were isolated and possible mechanism of the reactions is discussed. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.05.015

文献信息

• Study on the cyclization of 6-arylethynylpyrimidine-5-carbaldehydes with tert-butylamine: microwave versus thermal preparation of pyrido[4,3-d]pyrimidines
  作者：Inga Cikotiene、Visvaldas Kairys、Rita Buksnaitiene、Marius Morkunas、Simonas Rudys、Algirdas Brukstus、Miguel X. Fernandes

  DOI：10.1016/j.tet.2009.05.015

  日期：2009.7

  Thermal and microwave initiated cyclization of 2,4-disubstituted 6-arylethynylpyrimidine-5-carbaldehydes with tert-butylamine has been studied. A novel high-yielding preparation of 2,4-disubstituted 7-arylpyrido[4,3-d]pyrimidines has been developed. The intermediate compounds were isolated and possible mechanism of the reactions is discussed. Crown Copyright (C) 2009 Published by Elsevier Ltd. All rights reserved.