(7Z)-7-benzylidene-5-ethoxy-2-methylthio-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine | 1206804-95-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: (7Z)-7-benzylidene-5-ethoxy-2-methylthio-4-morpholin-4-yl-5,7-dihydrofuro[3,4-d]pyrimidine
• 英文别名: (7Z)-7-benzylidene-5-ethoxy-2-methylsulfanyl-4-morpholin-4-yl-5H-furo[3,4-d]pyrimidine
• CAS: 1206804-95-6
• 化学式: C₂₀H₂₃N₃O₃S
• 分子量: 385.487
• InChiKey: KTWPNKXSBIWXEI-SQFISAMPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  82
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  乙醇 、 2-methylthio-4-(morpholin-4-yl)-6-phenylethynyl-pyrimidine-5-carbaldehyde 、 potassium ethoxide 以 1,2-二氯乙烷 为溶剂， 反应 0.08h， 以97%的产率得到(7Z)-7-benzylidene-5-ethoxy-2-methylthio-4-morpholin-4-yl-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.