2-acetyl-3-phenyl-7-phenylmethylidene-3,4,5,6,7,9-hexahydro-2H-indazole

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二芳基庚烷
• 英文名称: 2-acetyl-3-phenyl-7-phenylmethylidene-3,4,5,6,7,9-hexahydro-2H-indazole
• 英文别名: trans-2-acetyl-3-phenyl-7-benzylidene-3,3a,4,5,6,7-hexahydroindazole；1-[(3R,3aS,7E)-7-benzylidene-3-phenyl-3a,4,5,6-tetrahydro-3H-indazol-2-yl]ethanone
• 化学式: C₂₂H₂₂N₂O
• 分子量: 330.429
• InChiKey: AJAHXBHUQRMZKI-OWXZVYGXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  32.7
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-苯基-1,2,4-三唑啉-3,5-二酮 、 2-acetyl-3-phenyl-7-phenylmethylidene-3,4,5,6,7,9-hexahydro-2H-indazole 以 氯仿 为溶剂， 反应 0.08h， 以50%的产率得到2-acetyl-3-phenyl-7-[phenyl-(4-phenyl-1-urazolyl)methyl]-3,4,5,9-tetrahydro-2H-indazole
  参考文献：
  名称：

  芳基亚甲基二氢吡唑与 4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione 的烯反应

  摘要：

  2-Acetyl-3-aryl-7-arylmethylene-3,4,5,6,7,9-hexahydro-2H-吲唑与 4-phenyl-3H-1,2,4-triazole-3 发生烯反应,5(4H)-二酮得到相应的单烯加合物。在类似条件下。3-aryl-7-arymethylene-2-methyl-3,4,5,6,7,9-hexahydro-2H-吲唑产生单加成和加聚产物。使用UV、IR、1 H和1 3 C NMR光谱和X射线衍射分析确定所得化合物的结构。

  DOI：

  10.1055/s-2002-33917
• 作为产物：
  描述：

  2,6-bis(benzylidene)cyclohexanone 在 一水合肼 作用下， 以 乙醇 为溶剂， 生成 2-acetyl-3-phenyl-7-phenylmethylidene-3,4,5,6,7,9-hexahydro-2H-indazole
  参考文献：
  名称：

  芳基亚甲基二氢吡唑与 4-Phenyl-3H-1,2,4-triazole-3,5(4H)-dione 的烯反应

  摘要：

  2-Acetyl-3-aryl-7-arylmethylene-3,4,5,6,7,9-hexahydro-2H-吲唑与 4-phenyl-3H-1,2,4-triazole-3 发生烯反应,5(4H)-二酮得到相应的单烯加合物。在类似条件下。3-aryl-7-arymethylene-2-methyl-3,4,5,6,7,9-hexahydro-2H-吲唑产生单加成和加聚产物。使用UV、IR、1 H和1 3 C NMR光谱和X射线衍射分析确定所得化合物的结构。

  DOI：

  10.1055/s-2002-33917

文献信息

• ——
  作者：M. G. Martinez、T. Klimova-Berestneva、K. Damian-Zea、N. N. Meleshonkova、E. I. Klimova

  DOI：10.1023/a:1020771320485

  日期：——

  8-Acetyl-7-aryl-2-arylmethylene-8,9-diaza- and 4,8,9-triazabicyclo[4.3.0]non-9-enes react with 4-phenyl-4,5-dihydro-3H-1,2,4-triazole-3,5-dione, following the ene addition pattern. Under similar conditons 7-aryl-2-arylmethylene-8-methyl-8,9-diazabicyclo[4.3.0]non-9-enes give rise to both mono- and polyaddition products. The product structures were studied by H-1 and C-13 NMR, IR, and UV spectroscopy and single crystal X-ray diffraction.
• Synthesis and1H and13C NMR study of the stereochemistry of (E)-2-acetyl-3-aryl-7-arylidene-3,3a,4,5,6,7-hexahydroindazoles
  作者：V. Vijayabaskar、S. Perumal、S. Selvaraj、M. J. E. Hewlins

  DOI：10.1002/(sici)1097-458x(199901)37:1<65::aid-mrc390>3.0.co;2-h

  日期：1999.1
• Ene Reactions of Arylmethylenedihydropyrazoles with 4-Phenyl-3<i>H</i>-1,2,4-triazole-3,5(4<i>H</i>)-dione
  作者：G. Martinez、E. Klimova、B. Klimova、Z. Damian、S. Ortega、I. Mendez、P. Gutiérrez、G. Vazquez

  DOI：10.1055/s-2002-33917

  日期：——

  2-Acetyl-3-aryl-7-arylmethylene-3,4,5,6,7,9-hexahydro-2H-indazoles enter into the ene reaction with 4-phenyl-3H-1,2,4-triazole-3,5(4H)-dione to give the corresponding monoene adducts. Under analogous conditions. 3-aryl-7-arymethylene-2-methyl-3,4,5,6,7,9-hexahydro-2H-indazoles give mono- and polyaddition products. The structures of compounds obtained were established using UV, IR, 1 H and 1 3 C NMR

  2-Acetyl-3-aryl-7-arylmethylene-3,4,5,6,7,9-hexahydro-2H-吲唑与 4-phenyl-3H-1,2,4-triazole-3 发生烯反应,5(4H)-二酮得到相应的单烯加合物。在类似条件下。3-aryl-7-arymethylene-2-methyl-3,4,5,6,7,9-hexahydro-2H-吲唑产生单加成和加聚产物。使用UV、IR、1 H和1 3 C NMR光谱和X射线衍射分析确定所得化合物的结构。