N,2-Diphenyl-3-(p-nitro-phenyl)-isoxazolidin-4,5-dicarboximid | 68296-28-6

• 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: N,2-Diphenyl-3-(p-nitro-phenyl)-isoxazolidin-4,5-dicarboximid
• 英文别名: 3ξ-(4-nitro-phenyl)-2,5-diphenyl-(3ar,6ac)-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione；3-(4-nitrophenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione；3-(4-nitrophenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
• CAS: 68296-28-6
• 化学式: C₂₃H₁₇N₃O₅
• 分子量: 415.405
• InChiKey: LGWZTUBTNDZURN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  95.7
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-苯基马来酰亚胺 、 N-(4-nitrobenzylidene)aniline oxide 以 甲苯 为溶剂， 生成 N,2-Diphenyl-3-(p-nitro-phenyl)-isoxazolidin-4,5-dicarboximid
  参考文献：
  名称：

  Samuilov,Ya.D. et al., Journal of Organic Chemistry USSR (English Translation), 1978, vol. 14, p. 1579 - 1582

  摘要：

  DOI：

文献信息

• Activation and Reaction Volumes for [4+2] and [3+2] Additions Involving Maleic Anhydride
  作者：V. D. Kiselev、G. G. Iskhakova、E. A. Kashaeva、M. S. Shikhab、M. D. Medvedeva、A. I. Konovalov

  DOI：10.1023/b:rugc.0000025148.16991.3a

  日期：2003.12

  The partial molar volumes of reactants and products of the [3+2] addition of C-(p-nitrophenyl)-N-phenylnitrone to maleic anhydride and of the [4+2] addition of 9,10-dimethylanthracene to the same dienophile were determined, and the reaction volumes were calculated. A new method was suggested for determining the reaction volume. The activation volumes of both reactions were calculated from the dependences of the reaction rates on the external pressure. The volume parameters of the reactions involving the reagents of close size are close. The ratios of the activation volumes to the reaction volumes are unity, which suggests a common concerted mechanism of the reactions. Factors that could be responsible for significant changes in the absolute values of the reaction volume parameters are discussed.
• Samuilov,Ya.D. et al., Journal of Organic Chemistry USSR (English Translation), 1978, vol. 14, p. 1579 - 1582
  作者：Samuilov,Ya.D. et al.

  DOI：——

  日期：——