3-allyl-6-(naphthalen-2-yl)-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid | 1268854-76-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 3-allyl-6-(naphthalen-2-yl)-2-oxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
• 英文别名: 6-Naphthalen-2-yl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-4-carboxylic acid；6-naphthalen-2-yl-2-oxo-3-prop-2-enyl-1,6-dihydropyrimidine-4-carboxylic acid
• CAS: 1268854-76-7
• 化学式: C₁₈H₁₆N₂O₃
• 分子量: 308.337
• InChiKey: ONAZZEOCJNSGKB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  23
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  69.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  草酰乙酸 、 烯丙基脲 、 2-萘甲醛 在 三氟乙酸 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 以81%的产率得到3-allyl-6-(naphthalen-2-yl)-2-oxo-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.