6-hydroxy-1,3-dimethyl-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidine-2,4(1H,3H)-dione

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 6-hydroxy-1,3-dimethyl-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidine-2,4(1H,3H)-dione
• 英文别名: 1,3-dimethyl-5-(3'-oxo-1',3'-dihydroisobenzofuran-1'-yl)barbituric acid；6-hydroxy-1,3-dimethyl-5-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)pyrimidine-2,4(1H,3H)-dione；6-hydroxy-1,3-dimethyl-5-(3-oxo-1H-2-benzofuran-1-yl)pyrimidine-2,4-dione
• 化学式: C₁₄H₁₂N₂O₅
• 分子量: 288.26
• InChiKey: QFEOCMKZWLINDE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  87.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1,3-二甲基巴比妥酸 、 邻羧基苯甲醛 以 水 为溶剂， 反应 2.0h， 以75%的产率得到6-hydroxy-1,3-dimethyl-5-(3-oxo-1,3-dihydroisobenzofuran-1-yl)pyrimidine-2,4(1H,3H)-dione
  参考文献：
  名称：

  An efficient and green synthesis of phthalide-fused pyrazole and pyrimidine derivatives

  摘要：

  An efficient and green method for the synthesis of phthalide [isobenzofuran-1(3H)-one] fused pyrazoles via the catalyst-free condensation reaction of 2-formylbenzoic acid, hydrazine hydrate, and acetylenic esters in water is reported. Reaction of 2-formylbenzoic acid with 6-amino-uracils or cyclic 1,3-diketones resulted in the formation of phthalide-fused pyrimidine or cyclic 1,3-diketone derivatives. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2014.02.101

文献信息

• An efficient and green synthesis of phthalide-fused pyrazole and pyrimidine derivatives
  作者：Anahita Motamedi、Elahe Sattari、Peiman Mirzaei、Mahsa Armaghan、Ayoob Bazgir

  DOI：10.1016/j.tetlet.2014.02.101

  日期：2014.4

  An efficient and green method for the synthesis of phthalide [isobenzofuran-1(3H)-one] fused pyrazoles via the catalyst-free condensation reaction of 2-formylbenzoic acid, hydrazine hydrate, and acetylenic esters in water is reported. Reaction of 2-formylbenzoic acid with 6-amino-uracils or cyclic 1,3-diketones resulted in the formation of phthalide-fused pyrimidine or cyclic 1,3-diketone derivatives. (C) 2014 Elsevier Ltd. All rights reserved.