2-(4-methoxyphenyl)-4-{[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-5-phenylpyrazolidin-3-one | 1514931-19-1

• 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-(4-methoxyphenyl)-4-{[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-5-phenylpyrazolidin-3-one
• 英文别名: 2-(4-Methoxyphenyl)-4-{[3-(4-methylphenyl)-1h-1,2,4-triazol-5-yl]sulfanyl}-5-phenylpyrazolidin-3-one；2-(4-methoxyphenyl)-4-[[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-5-phenylpyrazolidin-3-one
• CAS: 1514931-19-1
• 化学式: C₂₅H₂₃N₅O₂S
• mdl: MFCD31944177
• 分子量: 457.556
• InChiKey: CRNFCCYDJVZOGC-UHFFFAOYSA-N

物化性质

• 熔点：
  212-214 °C
• 沸点：
  702.2±70.0 °C(predicted)
• 密度：
  1.39±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one 、 (4-甲氧基苯基)肼 以 1,4-二氧六环 为溶剂， 反应 1.0h， 以55%的产率得到2-(4-methoxyphenyl)-4-{[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}-5-phenylpyrazolidin-3-one
  参考文献：
  名称：

  Structure of reaction products of substituted [1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-ones with amines and hydrazines

  摘要：

  Reactions of 2-(4-methylphenyl)[1,3]triazolo[3,2-b][1,2,4]thiazol-6(5H)-one and 5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one with amines and hydrazines of diverse structures were studied. The structure of the reaction products was established.

  DOI：

  10.1134/s1070428013110201

文献信息

• Structure of reaction products of substituted [1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-ones with amines and hydrazines
  作者：A. A. Rzhevskii、N. P. Gerasimova、Zh. V. Chirkova、S. I. Filimonov、S. I. Firgang、G. A. Stashina、K. Yu. Suponitsky

  DOI：10.1134/s1070428013110201

  日期：2013.11

  Reactions of 2-(4-methylphenyl)[1,3]triazolo[3,2-b][1,2,4]thiazol-6(5H)-one and 5-benzylidene-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one with amines and hydrazines of diverse structures were studied. The structure of the reaction products was established.