5-Methanesulfonylmethyl-3-methyl-isoxazole-4-carbaldehyde | 148383-73-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 5-Methanesulfonylmethyl-3-methyl-isoxazole-4-carbaldehyde
• 英文别名: 3-methyl-5-(methylsulfonylmethyl)-1,2-oxazole-4-carbaldehyde
• CAS: 148383-73-7
• 化学式: C₇H₉NO₄S
• 分子量: 203.219
• InChiKey: OITUVVCTYZFNAR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.6
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  85.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  5-Methanesulfonylmethyl-3-methyl-isoxazole-4-carbaldehyde 在 ammonium hydroxide 、 lithium diisopropyl amide 作用下， 生成 4-[5-(1-Methanesulfonyl-2-phenyl-ethyl)-3-methyl-isoxazol-4-yl]-2,6-dimethyl-1,4-dihydro-pyridine-3,5-dicarboxylic acid diethyl ester
  参考文献：
  名称：

  Electrophilic quenching of dianions of 4-[5′-sulfonylmethylisoxazolyl]-1,4-dihydropyridines. A direct route to functionalized Hantzsch Esters

  摘要：

  An expedient entry into the preparation of Hantzsch Esters is presented. The method involves dilithiation and selective electrophilic quenching of 4-[5'-sulfonylmethylisoxazolyl]-1,4-dihydropyridines.

  DOI：

  10.1016/s0040-4039(00)77500-9
• 作为产物：
  描述：

  4-(4,4-Dimethyl-4,5-dihydro-oxazol-2-yl)-5-methanesulfonylmethyl-3-methyl-isoxazole 生成 5-Methanesulfonylmethyl-3-methyl-isoxazole-4-carbaldehyde
  参考文献：
  名称：

  Electrophilic quenching of dianions of 4-[5′-sulfonylmethylisoxazolyl]-1,4-dihydropyridines. A direct route to functionalized Hantzsch Esters

  摘要：

  An expedient entry into the preparation of Hantzsch Esters is presented. The method involves dilithiation and selective electrophilic quenching of 4-[5'-sulfonylmethylisoxazolyl]-1,4-dihydropyridines.

  DOI：

  10.1016/s0040-4039(00)77500-9