6-(4-fluorophenyl)-3-methyl-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | 1268854-67-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 6-(4-fluorophenyl)-3-methyl-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
• 英文别名: 6-(4-Fluorophenyl)-3-methyl-2-sulfanylidene-1,6-dihydropyrimidine-4-carboxylic acid；6-(4-fluorophenyl)-3-methyl-2-sulfanylidene-1,6-dihydropyrimidine-4-carboxylic acid
• CAS: 1268854-67-6
• 化学式: C₁₂H₁₁FN₂O₂S
• 分子量: 266.296
• InChiKey: BQRWIUXIHKMGDV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  84.7
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  草酰乙酸 、 对氟苯甲醛 、 N-甲硫脲 在 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以84%的产率得到6-(4-fluorophenyl)-3-methyl-2-thioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
  参考文献：
  名称：

  A rapid and convenient synthesis of 5-unsubstituted 3,4-dihydropyrimidin-2-ones and thiones

  摘要：

  A rapid and convenient synthesis of 5-unsubstituted 3,4-dihydropyrimidin-2-ones and thiones was developed. The reaction involves a one-pot reaction between oxalacetic acid, thiourea/urea, and aldehyde under microwave irradiation and provides the products in good yields and much shorter reaction times. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.11.075

文献信息

• A rapid and convenient synthesis of 5-unsubstituted 3,4-dihydropyrimidin-2-ones and thiones
  作者：Zhanxiong Fang、Yulin Lam

  DOI：10.1016/j.tet.2010.11.075

  日期：2011.2

  A rapid and convenient synthesis of 5-unsubstituted 3,4-dihydropyrimidin-2-ones and thiones was developed. The reaction involves a one-pot reaction between oxalacetic acid, thiourea/urea, and aldehyde under microwave irradiation and provides the products in good yields and much shorter reaction times. (C) 2010 Elsevier Ltd. All rights reserved.