3-(3-nitrophenyl)-5-(4-nitrophenyl)-3a,4,6,6a-tetrahydro-4H,6H-pyrrolo[3,4-d]isoxazoline-4,6-dione | 672919-76-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯烷类
• 英文名称: 3-(3-nitrophenyl)-5-(4-nitrophenyl)-3a,4,6,6a-tetrahydro-4H,6H-pyrrolo[3,4-d]isoxazoline-4,6-dione
• 英文别名: 3-(3-Nitrophenyl)-5-(4-nitrophenyl)-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
• CAS: 672919-76-5
• 化学式: C₁₇H₁₀N₄O₇
• 分子量: 382.289
• InChiKey: HJSZGCVBLOWSJA-UHFFFAOYSA-N

物化性质

• 熔点：
  229-231 °C
• 沸点：
  708.3±70.0 °C(Predicted)
• 密度：
  1.74±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  151
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-(4-硝基苯基)马来酰亚胺 、 3-nitrobenzaldoxime 在 chloroamine-T 作用下， 以 乙醇 为溶剂， 反应 2.67h， 以69%的产率得到3-(3-nitrophenyl)-5-(4-nitrophenyl)-3a,4,6,6a-tetrahydro-4H,6H-pyrrolo[3,4-d]isoxazoline-4,6-dione
  参考文献：
  名称：

  one-pot synthesis of pyrrolo-[3,4-d]isoxazoline-4,6-diones via nitrile oxides

  摘要：

  1,3-Dipolar cycloaddition of nitrile oxides generated in situ in the presence of variously substituted N-arylmaleimides and N-benzylmaleimide provides new pyrrolo[3,4-d]izoxazoline-4,6-diones in good yields. The whole procedure could be performed in a practical and efficient one-pot operation. All the cycloadducts were isolated in excellent yields and identified by spectral studies.

  DOI：

  10.1007/s10593-009-0265-z

文献信息

• one-pot synthesis of pyrrolo-[3,4-d]isoxazoline-4,6-diones via nitrile oxides
  作者：J. Rajput、B. Singh、K. K. Singal

  DOI：10.1007/s10593-009-0265-z

  日期：2009.3

  1,3-Dipolar cycloaddition of nitrile oxides generated in situ in the presence of variously substituted N-arylmaleimides and N-benzylmaleimide provides new pyrrolo[3,4-d]izoxazoline-4,6-diones in good yields. The whole procedure could be performed in a practical and efficient one-pot operation. All the cycloadducts were isolated in excellent yields and identified by spectral studies.