(4S,5R)-4-Benzoyl-1-(4-bromo-phenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester | 144329-51-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (4S,5R)-4-Benzoyl-1-(4-bromo-phenyl)-5-p-tolyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester
• CAS: 144329-51-1
• 化学式: C₂₆H₂₃BrN₂O₃
• 分子量: 491.384
• InChiKey: XDIYTZJRDSGBKU-VWNXMTODSA-N

物化性质

• 沸点：
  608.2±65.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

反应信息

• 作为产物：
  描述：

  (E)-3-(4-methylphenyl)-1-phenyl-2-propen-1-one 、 乙基(2E)-[(4-溴苯基)亚肼基](氯)乙酸酯 在 三乙胺 作用下， 以 氯仿 为溶剂， 反应 30.0h， 以50%的产率得到(4S,5R)-5-Benzoyl-1-(4-bromo-phenyl)-4-p-tolyl-4,5-dihydro-1H-pyrazole-3-carboxylic acid ethyl ester
  参考文献：
  名称：

  Nuclear magnetic resonance spectroscopy and the structures of the regioisomeric products of the cycloaddition of C-ethoxycarbonyl-N-arylnitrilimines to α,β-unsaturated ketones

  摘要：

  H-1 NMR chemical shifts were used to assign the structures of the regioisomeric products obtained from the reactions of C-ethoxycarbonyl-N-arylnitrilimines 2A-E to alpha,beta-unsaturated ketones 3a-j. The assignments were based on the large observed difference between chemical shifts of the H-4 and H-5 of the 2-pyrazoline ring residue. Values of 1.29 +/- 0.06 and 0.34 +/- 0.03 ppm were found for DELTA-delta-4,5 for the 5-aroyl- and 4-aroyl-2-pyrazoline regioisomers 4 and 5, respectively. The regioselectivity in the studied cycloaddition reactions is interpreted in terms of FMO method.

  DOI：

  10.1016/0584-8539(92)80127-i