3-methyl-8a-morpholin-4-yl-4-(4-nitrophenyl)-1-phenyl-4,4a,5,6,7,8-hexahydrochromeno[2,3-c]pyrazole | 135763-50-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-methyl-8a-morpholin-4-yl-4-(4-nitrophenyl)-1-phenyl-4,4a,5,6,7,8-hexahydrochromeno[2,3-c]pyrazole
• CAS: 135763-50-7
• 化学式: C₂₇H₃₀N₄O₄
• 分子量: 474.56
• InChiKey: RLIFTIIIBZHAMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.83
• 重原子数：
  35.0
• 可旋转键数：
  4.0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  82.66
• 氢给体数：
  0.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  3-methyl-8a-morpholin-4-yl-4-(4-nitrophenyl)-1-phenyl-4,4a,5,6,7,8-hexahydrochromeno[2,3-c]pyrazole 在 水 、 溶剂黄146 作用下， 反应 0.5h， 生成 5-methyl-4-[(4-nitrophenyl)-(2-oxocyclohexyl)methyl]-2-phenyl-4H-pyrazol-3-one
  参考文献：
  名称：

  Dihydropyrans from 1,4-Cycloaddition of Enamines to Arylmethylenepyrazolones. Polar Character of the Thermal Rearrangement of the Resulting Cycloadducts

  摘要：

  The inverse electron demand hetero-Diels-Alder reaction of arylmethylenepyrazolones with enamines results in the selective formation of 3,4-dihydro-2H-pyran derivatives. These cycloadducts under thermodynamic conditions, are transformed via the zwitterion, which can be captured in the presence of tetracyanoethylene (TCE), as the more stable Michael-type adducts. The zwitterion could also be the intermediate for the cyclic adducts.

  DOI：

  10.1080/00397919108021047
• 作为产物：
  描述：

  1-吗啉基-1-环己烯 、 E-1-苯基-3-甲基-4-[(4-硝基苯基)亚甲基]-5-吡唑啉酮 以 乙腈 为溶剂， 生成 3-methyl-8a-morpholin-4-yl-4-(4-nitrophenyl)-1-phenyl-4,4a,5,6,7,8-hexahydrochromeno[2,3-c]pyrazole
  参考文献：
  名称：

  Dihydropyrans from 1,4-Cycloaddition of Enamines to Arylmethylenepyrazolones. Polar Character of the Thermal Rearrangement of the Resulting Cycloadducts

  摘要：

  The inverse electron demand hetero-Diels-Alder reaction of arylmethylenepyrazolones with enamines results in the selective formation of 3,4-dihydro-2H-pyran derivatives. These cycloadducts under thermodynamic conditions, are transformed via the zwitterion, which can be captured in the presence of tetracyanoethylene (TCE), as the more stable Michael-type adducts. The zwitterion could also be the intermediate for the cyclic adducts.

  DOI：

  10.1080/00397919108021047

文献信息

• ABDEL-RAHMAN, M.;ABDEL-GHANY, H., SYNTH. COMMUN., 21,(1991) N0-11, C. 1281-1291
  作者：ABDEL-RAHMAN, M.、ABDEL-GHANY, H.

  DOI：——

  日期：——