4,6-dimethoxy-[1,3,5]triazine-2-carboxylic acid diethylamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 4,6-dimethoxy-[1,3,5]triazine-2-carboxylic acid diethylamide
• 英文别名: N,N-diethyl-4,6-dimethoxy-1,3,5-triazine-2-carboxamide
• 化学式: C₁₀H₁₆N₄O₃
• 分子量: 240.262
• InChiKey: DHUSJOCBVLRMCC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  17
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  77.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氯-4,6-二甲氧基-1,3,5-三嗪 、 N,N-二乙基氰乙酰胺 在 sodium hexamethyldisilazane 、 双(三甲基硅基)过氧化物 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以63%的产率得到4,6-dimethoxy-[1,3,5]triazine-2-carboxylic acid diethylamide
  参考文献：
  名称：

  Dialkylaminoacetonitrile Derivatives as Amide Synthons. A One-Pot Preparation of Heteroaryl Amides via a Strategy of Sequential S_NAr Substitution and Oxidation

  摘要：

  Dialkylamino acetonitrile derivatives were utilized as alternative to cyanohydrin synthons for preparation of the corresponding heteroaryl dialkyl amides via a strategy of sequential base-mediated coupling and oxidation. The most advantageous oxidant, NiO2-H2O, can readily oxidize 2-substituted aminoacetonitriles to the corresponding amides under both basic and neutral conditions by forming cyanohydrins in situ.

  DOI：

  10.1021/jo030233j

文献信息

• Dialkylaminoacetonitrile Derivatives as Amide Synthons. A One-Pot Preparation of Heteroaryl Amides via a Strategy of Sequential S_NAr Substitution and Oxidation
  作者：Zhongxing Zhang、Zhiwei Yin、John F. Kadow、Nicholas A. Meanwell、Tao Wang

  DOI：10.1021/jo030233j

  日期：2004.2.1

  Dialkylamino acetonitrile derivatives were utilized as alternative to cyanohydrin synthons for preparation of the corresponding heteroaryl dialkyl amides via a strategy of sequential base-mediated coupling and oxidation. The most advantageous oxidant, NiO2-H2O, can readily oxidize 2-substituted aminoacetonitriles to the corresponding amides under both basic and neutral conditions by forming cyanohydrins in situ.