Methyl-1,3,7-trimethyl-5-(4-chlorophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate | 96996-31-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: Methyl-1,3,7-trimethyl-5-(4-chlorophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
• 英文别名: Methyl 5-(4-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate；methyl 5-(4-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
• CAS: 96996-31-5
• 化学式: C₁₈H₁₈ClN₃O₄
• 分子量: 375.812
• InChiKey: AKWZAASNCKPVPY-UHFFFAOYSA-N

物化性质

• 沸点：
  510.4±60.0 °C(Predicted)
• 密度：
  1.42±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  79
• 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-6-氨基脲嘧啶 、 4-氯苯甲醛 、 乙酰乙酸甲酯 在 硫脲-S,S-二氧化物 作用下， 以 水 为溶剂， 反应 8.0h， 以93%的产率得到Methyl-1,3,7-trimethyl-5-(4-chlorophenyl)-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate
  参考文献：
  名称：

  Thiourea dioxide in water as a recyclable catalyst for the synthesis of structurally diverse dihydropyrido[2,3-d]pyrimidine-2,4-diones

  摘要：

  A series of dihydropyrido[2,3-d]pyrimidine-2,4-diones derivatives were synthesized by the three-component reaction of 6-amino-1,3-dimethyl uracil, aromatic aldehydes, and 1,3-dicarbonyl compound catalyzed by thiourea dioxide in aqueous media. Importantly, the aqueous layer containing thiourea dioxide could be reused for several runs without significant loss in catalytic activity. This method provided several advantages such as inexpensive, recyclable catalyst, easier work-up, milder reaction conditions and environmental benign nature. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.03.037

文献信息

• Thiourea dioxide in water as a recyclable catalyst for the synthesis of structurally diverse dihydropyrido[2,3-d]pyrimidine-2,4-diones
  作者：Sanny Verma、Suman L. Jain

  DOI：10.1016/j.tetlet.2012.03.037

  日期：2012.5

  A series of dihydropyrido[2,3-d]pyrimidine-2,4-diones derivatives were synthesized by the three-component reaction of 6-amino-1,3-dimethyl uracil, aromatic aldehydes, and 1,3-dicarbonyl compound catalyzed by thiourea dioxide in aqueous media. Importantly, the aqueous layer containing thiourea dioxide could be reused for several runs without significant loss in catalytic activity. This method provided several advantages such as inexpensive, recyclable catalyst, easier work-up, milder reaction conditions and environmental benign nature. (C) 2012 Elsevier Ltd. All rights reserved.