5-[(4-butylphenyl)ethynyl]-1-(methoxymethyl)pyrimidin-2,4-dione | 1396408-84-6

• 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: 5-[(4-butylphenyl)ethynyl]-1-(methoxymethyl)pyrimidin-2,4-dione
• 英文别名: 5-[2-(4-Butylphenyl)ethynyl]-1-(methoxymethyl)pyrimidine-2,4-dione；5-[2-(4-butylphenyl)ethynyl]-1-(methoxymethyl)pyrimidine-2,4-dione
• CAS: 1396408-84-6
• 化学式: C₁₈H₂₀N₂O₃
• 分子量: 312.368
• InChiKey: LESOSAJMJRUBQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-[(4-butylphenyl)ethynyl]pyrimidin-2,4-dione 、 氯甲基甲基醚 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以53%的产率得到5-[(4-butylphenyl)ethynyl]-1-(methoxymethyl)pyrimidin-2,4-dione
  参考文献：
  名称：

  Efficient palladium-mediated or base-induced 5-endo-dig cyclisation of C5-alkynylated pyrimidine derivatives: conventional and microwave-assisted synthesis of novel furo[2,3-d]pyrimidines

  摘要：

  A series of the novel 5-alkynyl- and furo[2,3-d]pyrimidine derivatives in which the sugar moiety is replaced by a methoxymethyl (MOM) group is synthesised using the Sonogashira cross-coupling reaction under both conventional and microwave conditions, in good to excellent yields. The 5-endo-dig cyclisation of 5-alkynylpyrimidine derivatives promoted by a Pd-catalyst or base gives the corresponding furo[2,3-d]pyrimidines in good yields. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.07.068

文献信息

• Efficient palladium-mediated or base-induced 5-endo-dig cyclisation of C5-alkynylated pyrimidine derivatives: conventional and microwave-assisted synthesis of novel furo[2,3-d]pyrimidines
  作者：Tatjana Gazivoda Kraljević、Andrea Bistrović、Matea Dedić、Sandra Kraljević Pavelić、Mirela Sedić、Silvana Raić-Malić

  DOI：10.1016/j.tetlet.2012.07.068

  日期：2012.9

  A series of the novel 5-alkynyl- and furo[2,3-d]pyrimidine derivatives in which the sugar moiety is replaced by a methoxymethyl (MOM) group is synthesised using the Sonogashira cross-coupling reaction under both conventional and microwave conditions, in good to excellent yields. The 5-endo-dig cyclisation of 5-alkynylpyrimidine derivatives promoted by a Pd-catalyst or base gives the corresponding furo[2,3-d]pyrimidines in good yields. (C) 2012 Elsevier Ltd. All rights reserved.