6-(2-hydroxyphenyl)-4-methyl-N-(2-methylphenyl)-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-5-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 6-(2-hydroxyphenyl)-4-methyl-N-(2-methylphenyl)-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-5-carboxamide
• 英文别名: 4-(2-hydroxyphenyl)-6-methyl-N-(2-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
• 化学式: C₁₉H₁₉N₃O₂S
• 分子量: 353.445
• InChiKey: AVMYBIIQGMRZGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  106
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2'-甲基乙酰乙酰苯胺 、 水杨醛 、 硫脲 以 neat (no solvent) 为溶剂， 以73%的产率得到6-(2-hydroxyphenyl)-4-methyl-N-(2-methylphenyl)-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-5-carboxamide
  参考文献：
  名称：

  Synthesis of N-aryl- and N,N-diethyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamides

  摘要：

  Three-component condensation of N-aryl- and N,N-diethyl-3-oxobutanamides with salicylaldehyde and thiourea in ethanol in the presence of sodium hydrogen sulfate afforded N-aryl- and N,N-diethyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-13-carboxamides. Reaction of the same compounds in the absence of a catalyst under solvent-free conditions gave N-aryl-6-(2-hydroxyphenyl)-4-methyl-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-5-carboxamides.

  DOI：

  10.1134/s1070428016070174

文献信息

• Synthesis of N-aryl- and N,N-diethyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2,4,6-triene-13-carboxamides
  作者：T. M. Zamaraeva、V. L. Gein、N. A. Buzmakova、M. V. Dmitriev

  DOI：10.1134/s1070428016070174

  日期：2016.7

  Three-component condensation of N-aryl- and N,N-diethyl-3-oxobutanamides with salicylaldehyde and thiourea in ethanol in the presence of sodium hydrogen sulfate afforded N-aryl- and N,N-diethyl-9-methyl-11-sulfanylidene-8-oxa-10,12-diazatricyclo[7.3.1.0(2,7)]trideca-2,4,6-triene-13-carboxamides. Reaction of the same compounds in the absence of a catalyst under solvent-free conditions gave N-aryl-6-(2-hydroxyphenyl)-4-methyl-2-sulfanylidene-1,2,3,6-tetrahydropyrimidine-5-carboxamides.