3-Methyl-3,4,5,6,7,8-hexahydro-<1>benzothieno<2,3-d><1,2,3>-triazin-4-on | 38359-87-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 3-Methyl-3,4,5,6,7,8-hexahydro-<1>benzothieno<2,3-d><1,2,3>-triazin-4-on
• 英文别名: 3-Methyl-5,6,7,8-tetrahydro-<1>benzothieno<2,3-d>-1,2,3-triazin-4(3H)-on；3-N-methyl-4,5-tetramethylene thieno-[2,3-d][1,2,3]-triazin-4(3H)-one；3-methyl-5,6,7,8-tetrahydro-3H-benzo[4,5]thieno[2,3-d][1,2,3]triazin-4-one；3-Methyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]triazin-4-one
• CAS: 38359-87-4
• 化学式: C₁₀H₁₁N₃OS
• 分子量: 221.283
• InChiKey: JRNMITOICVFZHK-UHFFFAOYSA-N

物化性质

• 熔点：
  103-105 °C
• 沸点：
  410.4±55.0 °C(Predicted)
• 密度：
  1.58±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  73.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2-氨基-n-甲基-4,5,6,7-四氢-1-苯并噻吩-3-羧酰胺 在 盐酸 、 sodium nitrite 作用下， 以 水 、 溶剂黄146 为溶剂， 以46%的产率得到3-Methyl-3,4,5,6,7,8-hexahydro-<1>benzothieno<2,3-d><1,2,3>-triazin-4-on
  参考文献：
  名称：

  Synthesis of some 3-substituted amino-4,5-tetramethylene thieno[2,3-d][ 1,2,3]-triazin-4(3H)-ones as potential antimicrobial agents

  摘要：

  A series of 3-Substituted amino-4,5-tetramethylene thieno[2,3-d] [1,2,3]-triazine-4(3 (H) under bar )ones have been synthesized and characterized by UV,IR, 1H NMR, elemental and mass spectral analysis. The title compounds were evaluated for their antimicrobial activity by agar diffusion method against four bacteria and three fungi using Ampicillin and Miconazole nitrate as standards. The compounds Villa, IXa, Xa and XIa showed an antimicrobial efficacy considerably greater than the compounds la to Vila with -H, phenyl and electron donating (activating) groups like methyl, ethyl and tolyl substitutions at R. suggesting that lipophillic groups like chloro, fluoro substitution on the phenyl ring plays an important role in enhancing the antimicrobial properties of this class of compounds.From the screening results it can be concluded that the compounds having the lipophillic groups like chlorophenyl and fluorophenyl groups at R exhibited appreciable antimicrobial activities. Whereas, the compounds are having -H, phenyl and electron donating (activating) groups like methyl, ethyl and tolyl substituents at R were less active against all the organisms used. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.05.061

文献信息

• [EN] TRIAZINE HETEROCYCLIC COMPOUND WITH NEMATICIDAL ACTIVITY AND PREPARATION METHOD THEREFOR AND USAGE THEREOF<br/>[FR] COMPOSÉ HÉTÉROCYCLIQUE DE TRIAZINE AYANT UNE ACTIVITÉ NÉMATICIDE, SON PROCÉDÉ DE PRÉPARATION ET SON UTILISATION<br/>[ZH] 一种具有杀线虫活性的三嗪杂环化合物及其制法和用途
  申请人：UNIV EAST CHINA SCIENCE & TECH

  公开号：WO2016116058A1

  公开（公告）日：2016-07-28

  本发明涉及一种具有杀线虫活性的三嗪杂环化合物及其制法和用途。具体地，本发明公开了具有式(I)化合物或其光学异构体、顺反异构体或农药学上可接受的盐，及其制备方法。本发明还公开了包含上述化合物的农用组合物及其用途。上述化合物具有优异的杀线虫活性。
• Synthese von Thieno[2,3?d]-1,2,3-triazin- und [1]Benzothieno [2,3?d]-1,2,3-triazin-Derivaten
  作者：F. Sauter、W. Deinhammer

  DOI：10.1007/bf00909644

  日期：——
• Synthesis of some 3-substituted amino-4,5-tetramethylene thieno[2,3-d][ 1,2,3]-triazin-4(3H)-ones as potential antimicrobial agents
  作者：Janardhanan Saravanan、Shamanna Mohan、Jay Jyoti Roy

  DOI：10.1016/j.ejmech.2010.05.061

  日期：2010.9

  A series of 3-Substituted amino-4,5-tetramethylene thieno[2,3-d] [1,2,3]-triazine-4(3 (H) under bar )ones have been synthesized and characterized by UV,IR, 1H NMR, elemental and mass spectral analysis. The title compounds were evaluated for their antimicrobial activity by agar diffusion method against four bacteria and three fungi using Ampicillin and Miconazole nitrate as standards. The compounds Villa, IXa, Xa and XIa showed an antimicrobial efficacy considerably greater than the compounds la to Vila with -H, phenyl and electron donating (activating) groups like methyl, ethyl and tolyl substitutions at R. suggesting that lipophillic groups like chloro, fluoro substitution on the phenyl ring plays an important role in enhancing the antimicrobial properties of this class of compounds.From the screening results it can be concluded that the compounds having the lipophillic groups like chlorophenyl and fluorophenyl groups at R exhibited appreciable antimicrobial activities. Whereas, the compounds are having -H, phenyl and electron donating (activating) groups like methyl, ethyl and tolyl substituents at R were less active against all the organisms used. (C) 2010 Elsevier Masson SAS. All rights reserved.