(9ci)-5-甲基-1H-苯并噻唑-4-胺 | 137434-61-8

• 物质功能分类: 有机原料 - 氨基化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并三唑类
• 中文名称: (9ci)-5-甲基-1H-苯并噻唑-4-胺
• 中文别名: 5-甲基-1H-1,2,3-苯并三唑-4-胺
• 英文名称: 4-amino-5-methylbenzotriazole
• 英文别名: 5-Methyl-1H-1,2,3-benzotriazol-4-amine；5-methyl-2H-benzotriazol-4-amine
• CAS: 137434-61-8
• 化学式: C₇H₈N₄
• mdl: MFCD00962616
• 分子量: 148.167
• InChiKey: PSSNUWSDXCWZDV-UHFFFAOYSA-N

物化性质

• 沸点：
  458.5±25.0 °C(Predicted)
• 密度：
  1.386±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.142
• 拓扑面积：
  67.6
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  (9ci)-5-甲基-1H-苯并噻唑-4-胺 、 对甲苯磺酰氯 在 吡啶 作用下， 反应 1.0h， 以44%的产率得到4-amino-5-methyl-1-(p-toluenesulfonyl)benzotriazole
  参考文献：
  名称：

  Novel Dimroth rearrangements of the benzotriazole system: 4-amino-1-(arylsulfonyl)benzotriazoles to 4-[(arylsulfonyl)amino]benzotriazoles

  摘要：

  A variety of mono- and diarylsulfonyl-substituted 4-aminobenzotriazoles were prepared. Thermal rearrangements of 4-amino-1-(arylsulfonyl)benzotriazoles to 4-[(arylsulfonyl)amino]benzotriazoles were observed and confirmed by separation of the rearrangement products. Their structures were characterized by spectral methods and by X-ray crystallography. The rearrangement rates were studied by variable-temperature NMR experiments. Crossover experiments support an intramolecular mechanism involving a heterolytic benzotriazole ring cleavage to form a diazo intermediate followed by recyclization to the 4-amino group.

  DOI：

  10.1021/jo00027a036
• 作为产物：
  描述：

  5-甲基苯并三氮唑 在 palladium on activated charcoal 硫酸 、 氢气 、 硝酸 作用下， 以 乙醇 为溶剂， 25.0 ℃ 、413.69 kPa 条件下， 反应 48.0h， 生成 (9ci)-5-甲基-1H-苯并噻唑-4-胺
  参考文献：
  名称：

  Novel Dimroth rearrangements of the benzotriazole system: 4-amino-1-(arylsulfonyl)benzotriazoles to 4-[(arylsulfonyl)amino]benzotriazoles

  摘要：

  A variety of mono- and diarylsulfonyl-substituted 4-aminobenzotriazoles were prepared. Thermal rearrangements of 4-amino-1-(arylsulfonyl)benzotriazoles to 4-[(arylsulfonyl)amino]benzotriazoles were observed and confirmed by separation of the rearrangement products. Their structures were characterized by spectral methods and by X-ray crystallography. The rearrangement rates were studied by variable-temperature NMR experiments. Crossover experiments support an intramolecular mechanism involving a heterolytic benzotriazole ring cleavage to form a diazo intermediate followed by recyclization to the 4-amino group.

  DOI：

  10.1021/jo00027a036

文献信息

• METHOD FOR REDUCING PLATE OUT OF AQUEOUS COATING COMPOSITIONS
  申请人：Arkema Inc.

  公开号：EP2121824B8

  公开（公告）日：2011-02-23
• AQUEOUS COATING COMPOSITION HAVING REDUCED PLATE OUT
  申请人：DOW GLOBAL TECHNOLOGIES INC.

  公开号：EP2121858A2

  公开（公告）日：2009-11-25
• JPS612794A
  申请人：——

  公开号：JPS612794A

  公开（公告）日：1986-01-08
• OGA INHIBITOR COMPOUNDS
  申请人：Janssen Pharmaceutica NV

  公开号：US20210277003A1

  公开（公告）日：2021-09-09

  The present invention relates to O-GlcNAc hydrolase (OGA) inhibitors. The invention is also directed to pharmaceutical compositions comprising such compounds, to processes for preparing such compounds and compositions, and to the use of such compounds and compositions for the prevention and treatment of disorders in which inhibition of OGA is beneficial, such as tauopathies, in particular Alzheimer's disease or progressive supranuclear palsy; and neurodegenerative diseases accompanied by a tau pathology, in particular amyotrophic lateral sclerosis or frontotemporal lobe dementia caused by C9ORF72 mutations.
• US8450402B2
  申请人：——

  公开号：US8450402B2

  公开（公告）日：2013-05-28