2-(3-fluorophenyl)-3-phenylthiazolidin-4-one | 124823-23-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(3-fluorophenyl)-3-phenylthiazolidin-4-one
• 英文别名: 2-(3-Fluorophenyl)-3-phenyl-1,3-thiazolidin-4-one
• CAS: 124823-23-0
• 化学式: C₁₅H₁₂FNOS
• 分子量: 273.331
• InChiKey: ADVJUIDVQIDDNK-UHFFFAOYSA-N

物化性质

• 沸点：
  498.0±45.0 °C(Predicted)
• 密度：
  1.311±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  19.0
• 可旋转键数：
  2.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  巯基乙酸 、 苯胺 、 3-氟苯甲醛 生成 2-(3-fluorophenyl)-3-phenylthiazolidin-4-one
  参考文献：
  名称：

  Mass spectrometric study of some 2,3-diaryl-1,3-thiazolidin-4-ones under electron impact

  摘要：

  AbstractThe mass spectral fragmentations of some 2,3‐diaryl‐1,3‐thiazolidin‐4‐ones were established by comparing spectra and by using exact mass measurements. The major fragment ions were identified and their relative importances related to substituent effects and bond strengths. Good correlations were observed between the relative abundances of some of the breakdown products and the Hammett σ constants of substituents in the aromatic rings.

  DOI：

  10.1002/oms.1210280430

文献信息

• Mass spectrometric study of some 2,3-diaryl-1,3-thiazolidin-4-ones under electron impact
  作者：C. R. J. Woolston、J. B. Lee、F. J. Swinbourne

  DOI：10.1002/oms.1210280430

  日期：1993.4

  AbstractThe mass spectral fragmentations of some 2,3‐diaryl‐1,3‐thiazolidin‐4‐ones were established by comparing spectra and by using exact mass measurements. The major fragment ions were identified and their relative importances related to substituent effects and bond strengths. Good correlations were observed between the relative abundances of some of the breakdown products and the Hammett σ constants of substituents in the aromatic rings.