methyl p-methylbenzoylmethanesulfonate | 1431865-55-2

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: methyl p-methylbenzoylmethanesulfonate
• 英文别名: methyl 2-(4-methylphenyl)-2-oxoethanesulfonate
• CAS: 1431865-55-2
• 化学式: C₁₀H₁₂O₄S
• 分子量: 228.269
• InChiKey: UPFVCGCAIUSPPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  methyl p-methylbenzoylmethanesulfonate 在 溶剂黄146 、 sodium nitrite 作用下， 以 水 为溶剂， 反应 3.0h， 以40%的产率得到sodium α-oximino(p-methylbenzoyl)methanesulfonate
  参考文献：
  名称：

  Chemistry of β-oxoalkanesulfonic acids as CH-acids

  摘要：

  Ability of beta-oxoalkanesulfonic acids and their esters to enter into the reactions characteristic for CH-acids (azocoupling, nitrosation, aldol condensation, Michael reaction) was demonstrated. New poly-functional aliphatic sulfonic acids were synthesized as a result of these reactions.

  DOI：

  10.1134/s107036321412007x
• 作为产物：
  描述：

  甲醇 、 p-methylbenzoylmethanesulfonyl chloride 反应 1.0h， 以77%的产率得到methyl p-methylbenzoylmethanesulfonate
  参考文献：
  名称：

  Alkyl β-oxoalkanesulfonates: Synthesis and structure of methyl aroylmethanesulfonates

  摘要：

  A number of new methyl esters of para-substituted benzoylmethanesulfonic acids was synthesized. An ability of both esters and salts to tautomeric transformations was examined. The esters were found to undergo an acid cleavage in alkaline medium.

  DOI：

  10.1134/s1070363213030092