2-(4-chlorophenyl-)3-(3-methyl-4-nitroizoxazol-5-yl)propionic acid | 929719-08-4

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• 英文名称: 2-(4-chlorophenyl-)3-(3-methyl-4-nitroizoxazol-5-yl)propionic acid
• 英文别名: 2-(4-Chlorophenyl)-3-(3-methyl-4-nitro-1,2-oxazol-5-yl)propanoic acid
• CAS: 929719-08-4
• 化学式: C₁₃H₁₁ClN₂O₅
• 分子量: 310.694
• InChiKey: JUKPBBMDDYMDDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  109
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-(4-chlorophenyl-)3-(3-methyl-4-nitroizoxazol-5-yl)propionic acid 在 盐酸 、 tin(ll) chloride 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 以81%的产率得到6-(4-chlorophenyl)-3-methyl-6,7-dihydro-4H-isoxazolo[4,5-b]pyridin-5-one
  参考文献：
  名称：

  Modular synthesis of isoxazolopyridones and pyrazolopyridones

  摘要：

  Herein we described the preparation of two novel heterocyclic nuclei isoxazolopyridone and pyrazolopyridone. The syntheses are modular in nature and fast to execute. The title compounds were obtained pure without intervention of chromatography. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.12.044
• 作为产物：
  描述：

  (E)-5-(4-chlorostyryl)-3-methyl-4-nitroisoxazole 在 哌啶 、 盐酸 作用下， 以 乙醇 为溶剂， 反应 28.0h， 生成 2-(4-chlorophenyl-)3-(3-methyl-4-nitroizoxazol-5-yl)propionic acid
  参考文献：
  名称：

  Modular synthesis of isoxazolopyridones and pyrazolopyridones

  摘要：

  Herein we described the preparation of two novel heterocyclic nuclei isoxazolopyridone and pyrazolopyridone. The syntheses are modular in nature and fast to execute. The title compounds were obtained pure without intervention of chromatography. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.12.044

文献信息

• Preparation of mono-labelled aliphatic polyacids via isoxazole derivatives
  作者：Mauro F.A. Adamo、Piero Sarti-Fantoni、Stefano Chimichi、Alessandro Sandrelli

  DOI：10.1016/j.tetlet.2010.09.113

  日期：2010.12

  A method allowing the selective oxygen labelling of aliphatic polyacids, for example, succinic and glutaric acids, is reported. This process is based on the hydrolysis of a 3-alkyl-4-nitroisoxazol-5-yl group by Na18OH and affords the products in high yields. The same procedure was applied for the preparation of labelled aliphatic carboxylic acids.

  报道了允许对脂肪族多元酸例如琥珀酸和戊二酸进行选择性氧标记的方法。该方法基于Na 18 OH水解3-烷基-4-硝基异恶唑-5-基团，并以高收率提供产物。相同的程序用于标记的脂肪族羧酸的制备。
• Modular synthesis of isoxazolopyridones and pyrazolopyridones
  作者：Mauro F.A. Adamo、Eleanor F. Duffy、Donato Donati、Piero Sarti-Fantoni

  DOI：10.1016/j.tet.2006.12.044

  日期：2007.2

  Herein we described the preparation of two novel heterocyclic nuclei isoxazolopyridone and pyrazolopyridone. The syntheses are modular in nature and fast to execute. The title compounds were obtained pure without intervention of chromatography. (c) 2007 Elsevier Ltd. All rights reserved.