1,3-dibutyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonic acid | 1134967-56-8

• 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: 1,3-dibutyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonic acid
• CAS: 1134967-56-8
• 化学式: C₁₆H₂₂N₂O₅S
• 分子量: 354.427
• InChiKey: ZSLOEUDGHKYTNJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.01
• 重原子数：
  24.0
• 可旋转键数：
  7.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 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：

  1,3-dibutyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonic acid 在 氯磺酸 作用下， 以67%的产率得到1,3-dibutyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride
  参考文献：
  名称：

  Quinazolines 1. Synthesis and chemical reactions of 6-chlorosulfonyl-quinazoline-2,4-diones

  摘要：

  Treatment of quinazoline-2,4-dione and its symmetrical 1,3-dialkyl derivatives with chlorosulfonic acid gave the corresponding 6-chlorosulfonylquinazoline-2,4-diones. Reaction of the compounds obtained with nucleophilic agents (water, ammonia, aliphatic and cyclic amines) gave the corresponding free 2,4-dioxoquinazoline-6-sulfonic acids, 6-sulfamidoquinazoline-2,4-diones, and 2,4-dioxoquinazoline-6-sulfonic acid amides.

  DOI：

  10.1007/s10593-008-0048-y
• 作为产物：
  描述：

  1,3-dibutyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonyl chloride 在 水 作用下， 反应 10.0h， 以91%的产率得到1,3-dibutyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonic acid
  参考文献：
  名称：

  Quinazolines 1. Synthesis and chemical reactions of 6-chlorosulfonyl-quinazoline-2,4-diones

  摘要：

  Treatment of quinazoline-2,4-dione and its symmetrical 1,3-dialkyl derivatives with chlorosulfonic acid gave the corresponding 6-chlorosulfonylquinazoline-2,4-diones. Reaction of the compounds obtained with nucleophilic agents (water, ammonia, aliphatic and cyclic amines) gave the corresponding free 2,4-dioxoquinazoline-6-sulfonic acids, 6-sulfamidoquinazoline-2,4-diones, and 2,4-dioxoquinazoline-6-sulfonic acid amides.

  DOI：

  10.1007/s10593-008-0048-y