3-methyl-6-phenyl-1H-pyrazolo[5,1-c][1,2,4]triazole | 66348-57-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-methyl-6-phenyl-1H-pyrazolo[5,1-c][1,2,4]triazole
• 英文别名: 3-methyl-6-phenyl-1(5)H-pyrazolo[5,1-c][1,2,4]triazole；6-phenyl-3-methyl-pyrazolo[3,2-c]-S-triazole
• CAS: 66348-57-0
• 化学式: C₁₁H₁₀N₄
• 分子量: 198.227
• InChiKey: GOXUQDDBXFPHDY-UHFFFAOYSA-N

物化性质

• 熔点：
  228-233 °C
• 密度：
  1.33±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.03
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  45.98
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  1-acetyl-7-acetylsulfanyl-3-methyl-6-phenyl-1H-pyrazolo[5,1-c][1,2,4]triazole 在 盐酸 作用下， 以 甲醇 为溶剂， 以77%的产率得到3-methyl-6-phenyl-1H-pyrazolo[5,1-c][1,2,4]triazole
  参考文献：
  名称：

  Pyrolytic desulfurization ring contraction of condensed thiadiazines as a general route towards pyrazoloazines and pyrazoloazoles with a bridgehead (ring junction) nitrogen atom

  摘要：

  Pyrolytic conversion of [1,2,4]triazino[3,4-b][1,3,4]thiadiazin-4-ones, [1,3,4]thiadiazino[2,3-b]quinazolin-10-ones and [1,2,4]triazolo[3,4-b][1,3,4]thiadiazines into their corresponding pyrazolo[5,1-c][1,2,4]triazin-4-ones, Pyrazolo[4,3-b]quinazolin-9-ones and pyrazolo[5,1-b][1,2,4]triazoles via desulfurization ring contraction is described. The starting condensed 1,3,4-thiadiazines were prepared from the corresponding readily available 4-amino-3-thioxo-1,2,4-triazin-5(4H)-ones, 3-amino-2,3-dihydro-2-thioxo-quinazolin-4(1H)-one and 4-amino-3(2H)-thioxo-1,2,4-triazoles upon reaction with the appropriate alpha-haloketones in two steps, or directly in one step in ethylpyridinium tetrafluoroborate (ionic liquid, IL). (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2008.08.067

文献信息

• Hair colouring method and composition comprising a ring-fused heterocycle direct dyestuff
  申请人：Kao Corporation

  公开号：EP1240892A2

  公开（公告）日：2002-09-18

  The present invention is directed to a hair colouring method by using a composition and to said composition comprising a specified ring-fused heterocycle direct dyestuff having the general formula (1) or a salt thereof wherein the formulas are as defined in the patent claims. Furthermore, the present invention is also directed to the composition. This composition has a surprisingly good hair colouring performance and compatibility with peroxides. The use of this composition leads to long lasting brilliant colours wherein the colour is stable against washing of the hair and environmental influences.

  本发明涉及一种使用组合物的染发方法，所述组合物包含具有通式（1）的特定环融杂环直接染料或其盐，其中的通式如专利权利要求书中所定义。 此外，本发明还涉及该组合物。这种组合物具有令人惊讶的良好染发性能和与过氧化物的相容性。使用这种组合物可以获得持久艳丽的发色，而且发色稳定，不受头发洗涤和环境影响。
• Hair colouring method and composition
  申请人：KAO CORPORATION

  公开号：US20030024059A1

  公开（公告）日：2003-02-06

  The present invention is directed to a hair coloring method by using a composition comprising a specified ring-fused heterocycle direct dyestuff having the general formula (1) or a salt thereof wherein the formulas are as defined in the patent claims. 1 Furthermore, the present invention is also directed to the composition. This composition has a surprisingly good hair coloring performance and compatibility with peroxides. The use of this composition leads to long lasting brilliant colors wherein the color is stable against washing of the hair and environmental influences.

  本发明涉及一种染发方法，它使用一种组合物，该组合物包含具有通式(1)的特定环融杂环直接染料或其盐，其中的通式如专利权利要求书中所定义。 1 此外，本发明还涉及该组合物。这种组合物具有令人惊讶的良好染发性能和与过氧化物的相容性。使用这种组合物可以获得持久艳丽的颜色，而且颜色在头发洗涤和环境影响下也很稳定。
• US6783558B2
  申请人：——

  公开号：US6783558B2

  公开（公告）日：2004-08-31