2-(1'-phenyl-3'-(p-methoxyphenyl)-4'-(p-methylphenylsulfonyl)pyrazol-5'-yl-sulfonylmethyl)-4,5-dihydrooxazole | 1453429-30-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(1'-phenyl-3'-(p-methoxyphenyl)-4'-(p-methylphenylsulfonyl)pyrazol-5'-yl-sulfonylmethyl)-4,5-dihydrooxazole
• 英文别名: 2-[[5-(4-Methoxyphenyl)-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole；2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-2-phenylpyrazol-3-yl]sulfonylmethyl]-4,5-dihydro-1,3-oxazole
• CAS: 1453429-30-5
• 化学式: C₂₇H₂₅N₃O₆S₂
• 分子量: 551.644
• InChiKey: NPRSQVBXYUIERP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  134
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (E)-(4-methylphenyl)sulfonylethenesulfonylaceticacid methyl ester 在 正丁基锂 、 samarium(III) chloride 、 chloroamine-T 、 四氯苯醌 作用下， 以 甲醇 、 5,5-dimethyl-1,3-cyclohexadiene 、 甲苯 为溶剂， 生成 2-(1'-phenyl-3'-(p-methoxyphenyl)-4'-(p-methylphenylsulfonyl)pyrazol-5'-yl-sulfonylmethyl)-4,5-dihydrooxazole
  参考文献：
  名称：

  Synthesis and antioxidant activity of pyrazolyl-oxazolines/thiazolines and isoxazolyl-oxazolines/thiazolines

  摘要：

  A new class of pyrazolyl/isoxazolyl-oxazolines and thiazolines were synthesized from E-arylsulfonylethenesulfonylacetic acid methyl ester and tested for antioxidant activity. Among the tested compounds, 14b exhibited excellent antioxidant activity when compared with the standard ascorbic acid.

  DOI：

  10.1007/s00044-013-0688-z

文献信息

• Synthesis and antioxidant activity of pyrazolyl-oxazolines/thiazolines and isoxazolyl-oxazolines/thiazolines
  作者：Adivireddy Padmaja、Chittoor Rajasekhar、Suram Durgamma、Bhumireddy Chinnachennaiahgari Venkatesh、Venkatapuram Padmavathi

  DOI：10.1007/s00044-013-0688-z

  日期：2014.3

  A new class of pyrazolyl/isoxazolyl-oxazolines and thiazolines were synthesized from E-arylsulfonylethenesulfonylacetic acid methyl ester and tested for antioxidant activity. Among the tested compounds, 14b exhibited excellent antioxidant activity when compared with the standard ascorbic acid.