methyl butyloxamate

• 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: methyl butyloxamate
• 英文别名: Methyl 2-(butylamino)-2-oxoacetate；methyl 2-(butylamino)-2-oxoacetate
• 化学式: C₇H₁₃NO₃
• 分子量: 159.185
• InChiKey: GWYDJCZKCZRZHK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl butyloxamate 在 silver nitrate 氢氧化钾 、 ammonium peroxydisulfate 作用下， 以 甲醇 、 二氯甲烷 、 水 为溶剂， 反应 3.0h， 生成 N,N'-bis(n-butyl)oxamide
  参考文献：
  名称：

  Reactivity of Carbamoyl Radicals. A New, General, Convenient Free-Radical Synthesis of Isocyanates from Monoamides of Oxalic Acid

  摘要：

  A new, general, simple synthesis of isocyanates was developed by oxidation of monoamides of oxalic acid with peroxydisulfate catalyzed by Ag and Cu salts. The reaction was carried out in a two-phase system (water and an organic solvent), and it is suitable also for practical applications, due to the simple experimental conditions and the inexpensive as well as nontoxic reagents. The first example of homolytic intramolecular aromatic carbamoylation is also reported.

  DOI：

  10.1021/jo00122a020
• 作为产物：
  描述：

  甲基戊酰氯 、 正丁胺 在 三乙胺 作用下， 以 乙醚 为溶剂， 反应 24.0h， 以62%的产率得到methyl butyloxamate
  参考文献：
  名称：

  Ionic liquids based on oxalic acid mono amides

  摘要：

  本发明涉及一般式(I)的单取代草酸酰胺，其中[A]+ [O-C(O)-C(O)-X]-，其中[A]+表示由有机基A形成的阳离子，其具有从氮、磷和硫组成的形式上带正电的杂原子，X是基团-NRaRb，其中Ra和Rb相同或不同，并且彼此独立地为氢或具有C1至C30有机残基，但至少其中之一为C1至C30有机残基。

  公开号：

  EP2940010A1

文献信息

• Ionic liquids based on oxalic acid mono amides
  申请人：BASF SE

  公开号：EP2940010A1

  公开（公告）日：2015-11-04

  The present invention relates to monosubstituted oxalic acid amides of the general formula (I)         [A]+ [O-C(O)-C(O)-X]-     (I) wherein the meaning is for [A]+ a cation made from an organic moiety A having a formally positively charged heteroatom selected from the group consisting of nitrogen, phosphorus and sulfur and X is the group -NRaRb, wherein Ra and Rb are the same or different and are independently from each other hydrogen or a C1 to C30 organic residue with the proviso that at least one of Ra and Rb is a C1 to C30 organic residue.

  本发明涉及一般式(I)的单取代草酸酰胺，其中[A]+ [O-C(O)-C(O)-X]-，其中[A]+表示由有机基A形成的阳离子，其具有从氮、磷和硫组成的形式上带正电的杂原子，X是基团-NRaRb，其中Ra和Rb相同或不同，并且彼此独立地为氢或具有C1至C30有机残基，但至少其中之一为C1至C30有机残基。
• Reactivity of Carbamoyl Radicals. A New, General, Convenient Free-Radical Synthesis of Isocyanates from Monoamides of Oxalic Acid
  作者：Francesco Minisci、Francesca Fontana、Fausta Coppa、Yong Ming Yan

  DOI：10.1021/jo00122a020

  日期：1995.9

  A new, general, simple synthesis of isocyanates was developed by oxidation of monoamides of oxalic acid with peroxydisulfate catalyzed by Ag and Cu salts. The reaction was carried out in a two-phase system (water and an organic solvent), and it is suitable also for practical applications, due to the simple experimental conditions and the inexpensive as well as nontoxic reagents. The first example of homolytic intramolecular aromatic carbamoylation is also reported.