6-(4-Chloro-phenyl)-1-formyl-2-mercapto-4-methyl-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester | 181058-51-5

• 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: 6-(4-Chloro-phenyl)-1-formyl-2-mercapto-4-methyl-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester
• 英文别名: Ethyl 4-(4-chlorophenyl)-3-formyl-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylate
• CAS: 181058-51-5
• 化学式: C₁₅H₁₅ClN₂O₃S
• 分子量: 338.815
• InChiKey: MJDNHKLEASNDKG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  22
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  90.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(4-Chloro-phenyl)-1-formyl-2-mercapto-4-methyl-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester 、 丙二腈 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 6.0h， 以61%的产率得到6-(4-Chloro-phenyl)-3-cyano-2-imino-8-methyl-2H,6H-pyrimido[2,1-b][1,3]thiazine-7-carboxylic acid ethyl ester
  参考文献：
  名称：

  SYNTHESIS AND RADIATION STABILITY OF NOVEL THIAZOLOPYRIMIDINES WITH EXPECTED ANTIFUNGAL ACTIVITY

  摘要：

  A number of thiazolopyrimidines (II-VII) were prepared through interaction of 6-methyl-4(4'-chlorophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester (Ia) with many reagents. The antifungal activity of all prepared compounds have been determined using Dithane M-45 as a standard fungicide. Some compounds showed a high fungicidal activity equivalent to that of the standard towards Aspergillus niger and Aspergillus ochraceus. Also some biologically active compounds were subjected to gamma irradiation and me structures are stable.

  DOI：

  10.1080/10426509608029657
• 作为产物：
  描述：

  4-氯苯甲醛 、 alkaline earth salt of/the/ methylsulfuric acid 在 盐酸 、 三氯氧磷 作用下， 以 乙醇 为溶剂， 反应 3.0h， 生成 6-(4-Chloro-phenyl)-1-formyl-2-mercapto-4-methyl-1,6-dihydro-pyrimidine-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  SYNTHESIS AND RADIATION STABILITY OF NOVEL THIAZOLOPYRIMIDINES WITH EXPECTED ANTIFUNGAL ACTIVITY

  摘要：

  A number of thiazolopyrimidines (II-VII) were prepared through interaction of 6-methyl-4(4'-chlorophenyl)-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester (Ia) with many reagents. The antifungal activity of all prepared compounds have been determined using Dithane M-45 as a standard fungicide. Some compounds showed a high fungicidal activity equivalent to that of the standard towards Aspergillus niger and Aspergillus ochraceus. Also some biologically active compounds were subjected to gamma irradiation and me structures are stable.

  DOI：

  10.1080/10426509608029657

文献信息

• Metal-organic framework Cu3 (BTC)2(H2O)3 catalyzed Aldol synthesis of pyrimidine-chalcone hybrids
  作者：Naziyanaz B. Pathan、Anjali M. Rahatgaonkar、Mukund S. Chorghade

  DOI：10.1016/j.catcom.2011.03.040

  日期：2011.7

  A typical metal organic framework, [Cu3 (BTC)2(H2O)3, BTC = 1,3,5-benzene tricarboxylate] has been used for the synthesis of pyrimidine-chalcones. We have explored a green synthesis of pyrimidine chalcones under Cu3(BTC)2 catalysis by Aldol condensation. Easy isolation of product, excellent yield, and recyclable catalyst makes this reaction eco-friendly. The technology was demonstrated to be applicable

  典型的金属有机骨架[Cu 3（BTC）2（H 2 O）3，BTC = 1,3,5-苯三羧酸酯]已用于合成嘧啶-查耳酮。我们已经探索了通过Aldol缩合在Cu 3（BTC）2催化下的嘧啶查耳酮的绿色合成。易于分离产物，优异的收率和可回收的催化剂使该反应变得环保。事实证明，该技术适用于多种化学杂化物的合成。