1,3,5-triphenyl-4,5-dihydropyrazole | 1336909-83-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1,3,5-triphenyl-4,5-dihydropyrazole
• 英文别名: 1,3,5-triphenyl-2-pyrazoline；1,3,5-Triphenyl-I2-pyrazolin；(3R)-2,3,5-triphenyl-3,4-dihydropyrazole
• CAS: 1336909-83-1
• 化学式: C₂₁H₁₈N₂
• mdl: MFCD00078286
• 分子量: 298.387
• InChiKey: FGCZQOHSWGMVPN-OAQYLSRUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  23
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  15.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1,3,5-三苯基-4,5-二氢-1H-吡唑 在 Chiralpak AD-H column 作用下， 以 正己烷 、 异丙醇 为溶剂， 生成 1,3,5-triphenyl-4,5-dihydropyrazole 、 1,3,5-Triphenyl-Δ²-pyrazolin
  参考文献：
  名称：

  Determination of the absolute configuration of 1,3,5-triphenyl-4,5-dihydropyrazole enantiomers by a combination of VCD, ECD measurements, and theoretical calculations

  摘要：

  The enantiomers of 1,3,5-triphenyl-4,5-dihydropyrazole (an intense blue fluorescent compound) have been separated for the first time and their absolute configuration was established by a combination of VCD and ECD measurements and theoretical calculations. The enantiomers of 1,3,5-triphenyl-4,5-dihydropyrazole which are highly fluorescent both in solution (CH2Cl2) and in the solid state may find application in the very active field of enantioselective fluorosensors. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2011.06.003