1-Methyl-benzotriazol-3-oxid | 22713-36-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 英文名称: 1-Methyl-benzotriazol-3-oxid
• 英文别名: 1-Methyl-3-oxidobenzotriazol-3-ium
• CAS: 22713-36-6
• 化学式: C₇H₇N₃O
• 分子量: 149.152
• InChiKey: MYOLQUKTRKTYPJ-UHFFFAOYSA-N

物化性质

• 熔点：
  142-145 °C
• 沸点：
  306.1±25.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  43.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  1-羟基苯并三唑 以 sodium hydroxide 为溶剂， 反应 24.0h， 生成 1-Methyl-benzotriazol-3-oxid
  参考文献：
  名称：

  Study of 1-hydroxybenzotriazole/benzotriazole N-oxide tautomerism in the gas phase by photoelectron spectroscopy

  摘要：

  A photoelectron experimental study of the equilibrium benzotriazole N-oxide/1-hydroxybenzotriazole has demonstrated that only the second compound is present in the gas phase. Moreover, because crystals of each tautomer were used, these experiments prove that tautomeric equilibria can be attained in the gas phase.

  DOI：

  10.1016/0584-8539(95)01441-v

文献信息

• Oxidation system containing a macrocyclic metal complex, the production thereof and its use
  申请人：Vogt Uwe

  公开号：US20060217281A1

  公开（公告）日：2006-09-28

  Disclosed is an oxidizing system comprising a macrocyclic metal complex, an oxidizing agent and an oxidation-enhancing compound. This oxidizing system is useful under a wide variety of reaction conditions for oxidizing oxidizable substances by contacting the oxidizable substance with the specific oxidizing system. An example of a possible use is in a process for removing excess, unfixed dye from textile materials after a dyeing.

  本发明公开了一种氧化体系，该体系由一种大环金属络合物、一种氧化剂和一种氧化增强化合物组成。这种氧化体系可在多种反应条件下使用，通过将可氧化物质与特定氧化体系接触来氧化可氧化物质。一个可能用途的例子是在染色后从纺织材料中去除多余的未固着染料的工艺中。
• Brady; Reynolds, Journal of the Chemical Society, 1928, p. 198,199
  作者：Brady、Reynolds

  DOI：——

  日期：——
• 152. The effect of varying the cation in some organic reactions requiring an alkaline medium
  作者：O. L. Brady、J. Jakobovits

  DOI：10.1039/jr9500000767

  日期：——
• Synthesis of Triazolo[4,5-f]quinolines. An Unusual Case of Displacement of Nitro Group in the Reaction of 8-Acetylamino-6-chloro-5-nitroquinoline with Hydrazine and Methylhydrazine
  作者：Paolo Sanna、Antonio Carta、Giuseppe Paglietti

  DOI：10.3987/com-98-s(h)34

  日期：——

  Nitration of 1H-, 3-methyl- and 2-methyltriazolo[4,5-f]quinolines (6a-c) as a way to obtain the desired 4-aminotriazolo[4,5-f]quinolines (4) for a medicinal chemistry project was successful only in the case of 6c. Attempted building up of the triazole ring starting from 8-acetylamino-6-chloro-5-nitroquinoline (8) with ammonia, hydrazine and methylhydrazine at 150 degrees C in ethanol failed, However, the results obtained from these reactions allowed us to observe that, during nucleophilic aromatic substitution of chlorine by these bases an unusual displacement of the nitro group by hydrogen occurred. Comparison of these results with those obtained using different substrates allowed us to evaluate the influence of both para-acetylamino group and pyridine ring in this type of nucleophilic aromatic substitution.
• Conversions by Dimethyldioxirane of 1-Alkylbenzotriazoles into Their <i>N</i>-Oxides and of 2-Alkylbenzotriazoles into 2-Alkyl-<i>trans-</i>4,5,6,7-diepoxy-4,5,6,7-tetrahydrobenzotriazoles
  作者：Alan R. Katritzky、Rexiat Maimait、Sergey N. Denisenko、Peter J. Steel、Novruz G. Akhmedov

  DOI：10.1021/jo010194g

  日期：2001.8.1

  Dimethyldioxirane converted 1-alkylbenzotriazoles 4 to the corresponding 3-alkylbenzotriazole 1-oxides 5 in good yields, but transformed 2-alkylbenzotriazoles 12 into 2-alkyl-trans-4,5,6,7-diepoxy-4,5,6,7-tetrahydrobenzotriazoles 13.