4-anilino-(7Z)-7-benzylidene-5-methoxy-2-methylthio-5,7-dihydrofuro[3,4-d]pyrimidine | 1206804-92-3

• 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-anilino-(7Z)-7-benzylidene-5-methoxy-2-methylthio-5,7-dihydrofuro[3,4-d]pyrimidine
• 英文别名: (7Z)-7-benzylidene-5-methoxy-2-methylsulfanyl-N-phenyl-5H-furo[3,4-d]pyrimidin-4-amine
• CAS: 1206804-92-3
• 化学式: C₂₁H₁₉N₃O₂S
• 分子量: 377.467
• InChiKey: QNCRWUQDRDBCGQ-SSZFMOIBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  81.6
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  甲醇 、 4-anilino-2-methylthio-6-phenylethynylpyrimidine-5-carbaldehyde 、 potassium methanolate 在 silver trifluoroacetate 作用下， 以 二氯甲烷 为溶剂， 以82%的产率得到4-anilino-(7Z)-7-benzylidene-5-methoxy-2-methylthio-5,7-dihydrofuro[3,4-d]pyrimidine
  参考文献：
  名称：

  Tandem reactions of 6-phenylethynylpyrimidine-5-carbaldehydes with alcohols: regioselective synthesis of 5-alkoxy-(7Z)-7-benzylidene-5,7-dihydrofuro[3,4-d]pyrimidines and 5-alkoxy-7-phenyl-5H-pyrano[4,3-d]pyrimidines

  摘要：

  An efficient and versatile tandem processes of acetalisation and cycloisomerization reactions have been developed for the reactions of 6-phenylethynylpyrimidine-5-carbaldehydes. The influence of the catalyst and role of the substituent in the position 4 of the pyrimidine ring have been studied. Regioselective synthesis of 5,7-dihydrofuro[3,4-d]pyrimidine and pyrano[4,3-d]pyrimidine cores is described. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2009.10.108

文献信息

• Tandem reactions of 6-phenylethynylpyrimidine-5-carbaldehydes with alcohols: regioselective synthesis of 5-alkoxy-(7Z)-7-benzylidene-5,7-dihydrofuro[3,4-d]pyrimidines and 5-alkoxy-7-phenyl-5H-pyrano[4,3-d]pyrimidines
  作者：Inga Cikotiene、Rita Buksnaitiene、Simonas Rudys、Marius Morkunas、Dainius Motiejaitis

  DOI：10.1016/j.tet.2009.10.108

  日期：2010.1

  An efficient and versatile tandem processes of acetalisation and cycloisomerization reactions have been developed for the reactions of 6-phenylethynylpyrimidine-5-carbaldehydes. The influence of the catalyst and role of the substituent in the position 4 of the pyrimidine ring have been studied. Regioselective synthesis of 5,7-dihydrofuro[3,4-d]pyrimidine and pyrano[4,3-d]pyrimidine cores is described. (C) 2009 Elsevier Ltd. All rights reserved.