Ethyl 4-ethyl-6-methyl-3-nitroso-2-oxo-1,4-dihydropyrimidine-5-carboxylate | 1012074-59-7

• 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: Ethyl 4-ethyl-6-methyl-3-nitroso-2-oxo-1,4-dihydropyrimidine-5-carboxylate
• 英文别名: ethyl 4-ethyl-6-methyl-3-nitroso-2-oxo-1,4-dihydropyrimidine-5-carboxylate
• CAS: 1012074-59-7
• 化学式: C₁₀H₁₅N₃O₄
• 分子量: 241.247
• InChiKey: QLLYPUDGLSKQAM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  88.1
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  乙基4-乙基-6-甲基-2-氧代-1,2,3,4-四氢-5-嘧啶羧酸酯 在 氧化亚氮 作用下， 以 乙腈 为溶剂， 以94%的产率得到Ethyl 4-ethyl-6-methyl-3-nitroso-2-oxo-1,4-dihydropyrimidine-5-carboxylate
  参考文献：
  名称：

  Regioselective N-nitrosation of dihydropyrimidinones with nitric oxide

  摘要：

  N-Nitrosation of dihydropyrimidinones with nitric oxide occurred regioselectively, giving the corresponding N(3)-nitrosamides in high yields. The reaction most likely took place by a nucleophilic attack. Aprotic and polar solvents, such as CH3CN and tetrahydrofurane (THF) greatly favored the reaction, whereas protic solvents with high dielectric constant, such as CH3OH and water, disfavored it. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2007.12.035

文献信息

• Regioselective N-nitrosation of dihydropyrimidinones with nitric oxide
  作者：Yinglin Shen、Qiang Liu、Guaili Wu、Longmin Wu

  DOI：10.1016/j.tetlet.2007.12.035

  日期：2008.2

  N-Nitrosation of dihydropyrimidinones with nitric oxide occurred regioselectively, giving the corresponding N(3)-nitrosamides in high yields. The reaction most likely took place by a nucleophilic attack. Aprotic and polar solvents, such as CH3CN and tetrahydrofurane (THF) greatly favored the reaction, whereas protic solvents with high dielectric constant, such as CH3OH and water, disfavored it. (c) 2007 Elsevier Ltd. All rights reserved.