1-methyl-2,4-dioxo-3-propyl-1,2,3,4-tetrahydroquinazoline-6-sulfonic acid | 1232775-15-3

• 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: 1-methyl-2,4-dioxo-3-propyl-1,2,3,4-tetrahydroquinazoline-6-sulfonic acid
• CAS: 1232775-15-3
• 化学式: C₁₂H₁₄N₂O₅S
• 分子量: 298.32
• InChiKey: YHEWVXHWHRFLIA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.36
• 重原子数：
  20.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  98.37
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  1-methyl-2,4-dioxo-3-propyl-1,2,3,4-tetrahydroquinazoline-6-sulfonic acid 在 氯磺酸 作用下， 以100%的产率得到1-methyl-2,4-dioxo-3-propyl-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride
  参考文献：
  名称：

  Quinazolines. 2*. unsymmetric 1,3-dialkyl-6-chlorosulfonyl- quinazoline-2,4-diones in nucleo- philic substitution reactions

  摘要：

  The corresponding 6-chlorosulfonylquinazoline-2,4-diones were synthesized by the reactions of 1-methylquinazoline-2,4-dione and its 3-alkyl-substituted derivatives with chlorosulfonic acid. Treatment of the products with nucleophilic agents (water or ammonia, aliphatic and cyclic amines) gave 2,4-dioxoquinazolin-6-sulfonic acids or their amides.

  DOI：

  10.1007/s10593-010-0458-5
• 作为产物：
  描述：

  1-methyl-2,4-dioxo-3-propyl-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride 在 水 作用下， 反应 4.0h， 以88%的产率得到1-methyl-2,4-dioxo-3-propyl-1,2,3,4-tetrahydroquinazoline-6-sulfonic acid
  参考文献：
  名称：

  Quinazolines. 2*. unsymmetric 1,3-dialkyl-6-chlorosulfonyl- quinazoline-2,4-diones in nucleo- philic substitution reactions

  摘要：

  The corresponding 6-chlorosulfonylquinazoline-2,4-diones were synthesized by the reactions of 1-methylquinazoline-2,4-dione and its 3-alkyl-substituted derivatives with chlorosulfonic acid. Treatment of the products with nucleophilic agents (water or ammonia, aliphatic and cyclic amines) gave 2,4-dioxoquinazolin-6-sulfonic acids or their amides.

  DOI：

  10.1007/s10593-010-0458-5