2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one | 132895-43-3

• 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-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
• 英文别名: 2-(4-Methylphenyl)[1,3] thiazolo[3,2-b][1,2,4]triazol-6(5h)-one；2-(4-methylphenyl)-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
• CAS: 132895-43-3
• 化学式: C₁₁H₉N₃OS
• 分子量: 231.278
• InChiKey: XRWUDSADWLPZIO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  16
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  73.1
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one 在 sodium hydroxide 作用下， 以 水 为溶剂， 反应 0.5h， 以95%的产率得到{[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl}acetic acid
  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
• 作为产物：
  描述：

  1-(p-methylbenzoyl)-3-thisemicarbazide 在 sodium hydroxide 、 sodium acetate 、 三氯氧磷 作用下， 以 溶剂黄146 为溶剂， 反应 6.5h， 生成 2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
  参考文献：
  名称：

  Kumar; Dahiya; Puri, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 1, p. 38 - 41

  摘要：

  DOI：

文献信息

• Condensation of 5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione with haloacetic acids
  作者：A. A. Rzhevskii、N. P. Gerasimova、E. M. Alov、O. S. Kozlova、A. S. Danilova、S. A. Khapova、K. Yu. Suponitskii

  DOI：10.1007/s11172-012-0299-8

  日期：2012.11

  Reactions of triazolethiones with haloacetic acids were studied with 5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione as an example. It was proved for the first time by X-ray diffraction that the cyclocondensation of these compounds proceeds regiospecifically to give 2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one rather than its isomer 3-(4-methylphenyl)[1,3]thiazolo[2,3-c][1,2,4]triazol-5(6H)-one.

  以 5-(4-甲基苯基)-2,4-二氢-3H-1,2,4-三唑-3-硫酮为例，研究了三唑硫酮与卤乙酸的反应。通过 X 射线衍射法首次证明，这些化合物的环缩合反应是以特定的方式进行的，生成 2-(4-甲基苯基)[1,3]噻唑并[3,2-b][1,2,4]三唑-6(5H)-酮，而不是其异构体 3-(4-甲基苯基)[1,3]噻唑并[2,3-c][1,2,4]三唑-5(6H)-酮。
• 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.
• Kumar; Dahiya; Puri, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1991, vol. 30, # 1, p. 38 - 41
  作者：Kumar、Dahiya、Puri、Pujari

  DOI：——

  日期：——