1-(2,4-dimethyl)phenyl-2-(phenylsulfonyl)ethanone | 944476-31-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(2,4-dimethyl)phenyl-2-(phenylsulfonyl)ethanone
• 英文别名: 1-(3,5-Dimethylphenyl)-2-(phenylsulfonyl)ethanone；2-(benzenesulfonyl)-1-(2,4-dimethylphenyl)ethanone
• CAS: 944476-31-7
• 化学式: C₁₆H₁₆O₃S
• 分子量: 288.367
• InChiKey: MYSKHEDYGIVTKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  59.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-(2,4-dimethylphenyl)ethynyl phenyl sulfone 在 三氟乙酸 、 水 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以76%的产率得到1-(2,4-dimethyl)phenyl-2-(phenylsulfonyl)ethanone
  参考文献：
  名称：

  Oxidation of aromatic compounds: XVI. Radical cations derived from acetylenic compounds with electron-withdrawing groups: Reactions and ESR parameters

  摘要：

  One-electron oxidation of aryl-substituted acetylenes ArC equivalent to CX where X is an electron-withdrawing group gives different products, depending on the X substituent. Acetylenic substrates with medium-strength electron-withdrawing substituents, X = CO2R, COAr, COR, PO(OEt)(2), give rise to tetrasubstituted ethenes X(ArCO)C=C(COAr)X. Compounds with strong electron-withdrawing groups (X = COCF3, COCO2R, CN) are converted into furan derivatives. Probable mechanisms of transformations of ArC equivalent to CX radical cations into the final products are discussed. Radical cations derived from disubstituted acetylenes were characterized by ESR spectroscopy.

  DOI：

  10.1134/s1070428008060031