ethyl <(5-methyl-3-isoxazolyl)amino>oxoacetate | 99356-63-5

• 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: ethyl <(5-methyl-3-isoxazolyl)amino>oxoacetate
• 英文别名: ethyl [(5-methyl-3-isoxazolyl)amino]oxoacetate；Ethyl [(5-methyl-1,2-oxazol-3-yl)carbamoyl]formate；ethyl 2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoacetate
• CAS: 99356-63-5
• 化学式: C₈H₁₀N₂O₄
• mdl: MFCD00102991
• 分子量: 198.178
• InChiKey: GDURGQHLMZRDBQ-UHFFFAOYSA-N

物化性质

• 溶解度：
  >29.7 [ug/mL]

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl <(5-methyl-3-isoxazolyl)amino>oxoacetate 、 sodium hydroxide 以67%的产率得到
  参考文献：
  名称：

  SIRCAR, J. C.;CAPIRIS, TH.;BOBOVSKI, TH. P.;SCHWENDER, CH. F., J. ORG. CHEM., 1985, 50, N 26, 5723-5727

  摘要：

  DOI：
• 作为产物：
  描述：

  3-氨基-5-甲基异恶唑 、 草酰氯单乙酯 在 N,N-二异丙基乙胺 作用下， 以 乙腈 为溶剂， 反应 0.5h， 生成 ethyl <(5-methyl-3-isoxazolyl)amino>oxoacetate
  参考文献：
  名称：

  2,2,2-Trifluoroethyl Chlorooxoacetate—Universal Reagent for One-Pot Parallel Synthesis of N¹-Aryl-N²-alkyl-Substituted Oxamides

  摘要：

  A one-pot parallel synthesis of N-1-aryl-N-2-alkyl-substituted oxamides with 2,2,2-trifluoroethyl chlorooxoacetate was developed. The synthesis of a library of 45 oxamides revealed higher efficiency of this reagent over the known ethyl chlorooxoacetate. The reagent was successfully used to prepare the known oxamide-containing HIV entry inhibitors.

  DOI：

  10.1021/acscombsci.5b00091

文献信息

• Synthesis of 4-hydroxy-N-[5-(hydroxymethyl)-3-isoxazolyl]-2-methyl-2H-1,2-benzothiazine-3-carboxamide 1,1-dioxide and [(5-methyl-3-isoxazolyl)amino]oxoacetic acid. Major metabolites of isoxicam
  作者：Jagadish C. Sircar、Thomas Capiris、Thomas P. Bobovski、Charles F. Schwender

  DOI：10.1021/jo00350a056

  日期：1985.12
• 2,2,2-Trifluoroethyl Chlorooxoacetate—Universal Reagent for One-Pot Parallel Synthesis of <i>N</i>¹-Aryl-<i>N</i>²-alkyl-Substituted Oxamides
  作者：Andrey V. Bogolubsky、Yurii S. Moroz、Pavel K. Mykhailiuk、Sergey E. Pipko、Anton V. Zhemera、Anzhelika I. Konovets、Olena O. Stepaniuk、Inna S. Myronchuk、Yurii V. Dmytriv、Roman A. Doroschuk、Olga A. Zaporozhets、Andrey Tolmachev

  DOI：10.1021/acscombsci.5b00091

  日期：2015.10.12

  A one-pot parallel synthesis of N-1-aryl-N-2-alkyl-substituted oxamides with 2,2,2-trifluoroethyl chlorooxoacetate was developed. The synthesis of a library of 45 oxamides revealed higher efficiency of this reagent over the known ethyl chlorooxoacetate. The reagent was successfully used to prepare the known oxamide-containing HIV entry inhibitors.
• SIRCAR, J. C.;CAPIRIS, TH.;BOBOVSKI, TH. P.;SCHWENDER, CH. F., J. ORG. CHEM., 1985, 50, N 26, 5723-5727
  作者：SIRCAR, J. C.、CAPIRIS, TH.、BOBOVSKI, TH. P.、SCHWENDER, CH. F.

  DOI：——

  日期：——