7-amino-1,3-dimethyl-6-nitro-2,4(1H,3H)-quinazolinedione | 76822-72-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 7-amino-1,3-dimethyl-6-nitro-2,4(1H,3H)-quinazolinedione
• 英文别名: 7-amino-1,3-dimethyl-6-nitro-quinazoline-2,4-dione；7-Amino-1,3-dimethyl-6-nitroquinazoline-2,4(1H,3H)-dione；7-amino-1,3-dimethyl-6-nitroquinazoline-2,4-dione
• CAS: 76822-72-5
• 化学式: C₁₀H₁₀N₄O₄
• 分子量: 250.214
• InChiKey: SUXYGTQQAMDKJG-UHFFFAOYSA-N

物化性质

• 沸点：
  492.9±55.0 °C(Predicted)
• 密度：
  1.511±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  113
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  甲酸 、 7-amino-1,3-dimethyl-6-nitro-2,4(1H,3H)-quinazolinedione 生成 lin-benzotheophylline
  参考文献：
  名称：

  Synthesis of lin-benzofervenulin, lin-benzotheophylline, and lin-benzocaffeine

  摘要：

  DOI：

  10.1021/jo00321a035
• 作为产物：
  描述：

  7-chloro-1,3-dimethyl-6-nitroquinazoline-2,4(1H,3H)-dione 在 氨 作用下， 以 正丁醇 为溶剂， 反应 24.0h， 以69.8%的产率得到7-amino-1,3-dimethyl-6-nitro-2,4(1H,3H)-quinazolinedione
  参考文献：
  名称：

  Synthesis of lin-benzofervenulin, lin-benzotheophylline, and lin-benzocaffeine

  摘要：

  DOI：

  10.1021/jo00321a035

文献信息

• Linear and proximal benzo-separated alkylated xanthines as adenosine-receptor antagonists
  作者：Stewart W. Schneller、Augusto C. Ibay、William J. Christ、Robert F. Bruns

  DOI：10.1021/jm00130a004

  日期：1989.10

  The linear and proximal benzo-separated derivatives of 8-phenyltheophylline, 1,3-diethyl-8-phenylxanthine, 1,3-dipropylxanthine, 1,3-dibutylxanthine, 3-isobutyl-1-methylxanthine, theophylline, caffeine, and isocaffeine have been synthesized and evaluated for affinity at the A1 and A2 adenosine receptors. Although structure-activity relationships in the benzo-separated series differed from the relationships in the simple xanthines, the most potent of the benzo-separated xanthines were about equal in affinity to the most potent of the corresponding xanthines. On the basis of the present results and the diverse structures reported in the literature as non-xanthine adenosine antagonists, it appears that the primary requirement for adenosine-receptor affinity in nonnucleosides is a flat, neutral, fused-ring heterocycle and that once this requirement is met there are numerous potential binding modes.
• LONG WAVELENGTH SHIFTED BENZOTRIAZOLE UV-ABSORBERS AND THEIR USE
  申请人：Ciba Holding Inc.

  公开号：EP2032577A1

  公开（公告）日：2009-03-11
• Long wavelength shifted benzotriazole uv-absorbers and their use
  申请人：Fritzsche Katharina

  公开号：US20100163813A1

  公开（公告）日：2010-07-01

  The instant invention relates to novel benzotriazole UV-absorbers having a long wavelength shifted absorption spectrum with significant absorbance up to 410-420 nm. Further aspects of the invention are a process for their preparation, a UV stabilized composition containing the new UV-absorbers and the use of the new compounds as UV-light stabilizers for organic materials.
• US8262949B2
  申请人：——

  公开号：US8262949B2

  公开（公告）日：2012-09-11
• [EN] LONG WAVELENGTH SHIFTED BENZOTRIAZOLE UV-ABSORBERS AND THEIR USE<br/>[FR] ABSORBEURS DE RAYONS UV À BENZOTRIAZOLE DÉCALÉS VERS LES GRANDES LONGUEURS D'ONDE ET LEUR UTILISATION
  申请人：CIBA SC HOLDING AG

  公开号：WO2008000646A1

  公开（公告）日：2008-01-03

  [EN] The instant invention relates to novel benzotriazole UV-absorbers having a long wavelength shifted absorption spectrum with significant absorbance up to 410-420 nm. Further aspects of the invention are a process for their preparation, a UV stabilized composition containing the new UV-absorbers and the use of the new compounds as UV-light stabilizers for organic materials.
  [FR] La présente invention se rapporte à des absorbeurs novateurs de rayons UV à benzotriazole présentant un spectre d'absorption décalé vers les grandes longueurs d'onde en présentant une absorption significative jusqu'à 410 à 420 nm. D'autres aspects de l'invention sont un procédé pour leur préparation, une composition stabilisée par rapport aux rayons UV contenant les nouveaux absorbeurs de rayons UV ainsi que l'utilisation des nouveaux composés en tant que stabilisateurs de lumière UV pour des matériaux organiques.