2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(p-tolyloxy)-4-(p-tolylsulfonyl)-1,3-thiazole | 1172135-99-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(p-tolyloxy)-4-(p-tolylsulfonyl)-1,3-thiazole
• 英文别名: 2-(3,5-Dimethyl-1h-pyrazol-1-yl)-5-(p-tolyloxy)-4-(p-tolylsulfonyl)-1,3-thiazole；2-(3,5-dimethylpyrazol-1-yl)-5-(4-methylphenoxy)-4-(4-methylphenyl)sulfonyl-1,3-thiazole
• CAS: 1172135-99-7
• 化学式: C₂₂H₂₁N₃O₃S₂
• 分子量: 439.559
• InChiKey: BZPMLNSUUJRIQW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  111
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  对甲酚 、 5-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(ptolylsulfonyl)-1,3-thiazole 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 10.0h， 以71%的产率得到2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-(p-tolyloxy)-4-(p-tolylsulfonyl)-1,3-thiazole
  参考文献：
  名称：

  Transformations of 5-chloro-2-hydrazino-4-p-tolylsulfonyl-1,3-thiazole

  摘要：

  Accessible 2,2-dichloro-1-p-tolylsulfonylethenyl isothiocyanate reacted with hydrazine hydrate to give 5-chloro-2-hydrazino-4-p-tolylsulfonyl-1,3-thiazole whose reactions with thiols and amines followed a complicated pattern. Treatment of 5-chloro-2-hydrazino-4-p-tolylsulfonyl-1,3-thiazole with acetylacetone led to the formation of previously unknown 5-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-p-tolylsulfonyl-1,3-thiazole which reacted with O-, S-, and N-centered nucleophiles at the C(5) atom with high regioselectivity.

  DOI：

  10.1134/s1070363208110248

文献信息

• Transformations of 5-chloro-2-hydrazino-4-p-tolylsulfonyl-1,3-thiazole
  作者：K. V. Turov、T. K. Vinogradova、B. S. Drach

  DOI：10.1134/s1070363208110248

  日期：2008.11

  Accessible 2,2-dichloro-1-p-tolylsulfonylethenyl isothiocyanate reacted with hydrazine hydrate to give 5-chloro-2-hydrazino-4-p-tolylsulfonyl-1,3-thiazole whose reactions with thiols and amines followed a complicated pattern. Treatment of 5-chloro-2-hydrazino-4-p-tolylsulfonyl-1,3-thiazole with acetylacetone led to the formation of previously unknown 5-chloro-2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-p-tolylsulfonyl-1,3-thiazole which reacted with O-, S-, and N-centered nucleophiles at the C(5) atom with high regioselectivity.