3-(3-chlorophenyl)-4-(3-methyl-4-nitroisoxazol-5-yl)butanoic acid | 132894-40-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 苯丙酸
• 英文名称: 3-(3-chlorophenyl)-4-(3-methyl-4-nitroisoxazol-5-yl)butanoic acid
• 英文别名: 3-(3-Chlorophenyl)-4-(3-methyl-4-nitro-1,2-oxazol-5-yl)butanoic acid
• CAS: 132894-40-7
• 化学式: C₁₄H₁₃ClN₂O₅
• 分子量: 324.721
• InChiKey: PTCOSAZGJOGCFE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 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：

  3-(3-chlorophenyl)-4-(3-methyl-4-nitroisoxazol-5-yl)butanoic acid 在 sodium hydroxide 、 一水合肼 作用下， 反应 8.0h， 以95%的产率得到3-(3-chloro-phenyl)-4-(5-methyl-4-nitro-2H-pyrazol-3-yl)-butyric acid
  参考文献：
  名称：

  Modular syntheses of isoxazoloazepinones and pyrazoloazepinones

  摘要：

  Herein we described an optimised synthesis of isoxazoloazepi none and novel heterocycle pyrazoloazepinone. These syntheses are modular in nature and fast to execute. The title compounds were obtained pure without the intervention of chromatography. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.01.018
• 作为产物：
  描述：

  3,5-二甲基-4-硝基异噁唑 在 哌啶 、 盐酸 作用下， 以 乙醇 为溶剂， 反应 29.0h， 生成 3-(3-chlorophenyl)-4-(3-methyl-4-nitroisoxazol-5-yl)butanoic acid
  参考文献：
  名称：

  Modular syntheses of isoxazoloazepinones and pyrazoloazepinones

  摘要：

  Herein we described an optimised synthesis of isoxazoloazepi none and novel heterocycle pyrazoloazepinone. These syntheses are modular in nature and fast to execute. The title compounds were obtained pure without the intervention of chromatography. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2007.01.018

文献信息

• Baracchi, Antonella; Chimichi, Stefano; Sio, Francesco De, Heterocycles, 1990, vol. 31, # 10, p. 1823 - 1831
  作者：Baracchi, Antonella、Chimichi, Stefano、Sio, Francesco De、Donati, Donato、Polo, Cecilia、Sarti-Fantoni, Piero

  DOI：——

  日期：——
• BARACCHI, ANTONELLA;CHIMICHI, STEFANO;SIO, FRANCESCO DE;DONATI, DONATO;PO+, HETEROCYCLES, 31,(1990) N0, C. 1823-1831
  作者：BARACCHI, ANTONELLA、CHIMICHI, STEFANO、SIO, FRANCESCO DE、DONATI, DONATO、PO+

  DOI：——

  日期：——
• Modular syntheses of isoxazoloazepinones and pyrazoloazepinones
  作者：Mauro F.A. Adamo、Eleanor F. Duffy、Donato Donati、Piero Sarti-Fantoni

  DOI：10.1016/j.tet.2007.01.018

  日期：2007.3

  Herein we described an optimised synthesis of isoxazoloazepi none and novel heterocycle pyrazoloazepinone. These syntheses are modular in nature and fast to execute. The title compounds were obtained pure without the intervention of chromatography. (c) 2007 Elsevier Ltd. All rights reserved.