1,3-bis(6-bromohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione | 1131732-39-2

• 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-bis(6-bromohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
• CAS: 1131732-39-2
• 化学式: C₂₀H₂₈Br₂N₂O₂
• 分子量: 488.263
• InChiKey: ZIVRBZRCSDAJGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.07
• 重原子数：
  26.0
• 可旋转键数：
  12.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  44.0
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  1,3-bis(6-bromohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione 、 苄胺 在 四丁基硫酸氢铵 、 potassium carbonate 作用下， 以 正丁醇 为溶剂， 以11%的产率得到8-benzyl-16,17-benzo-1,8,15-triazabicyclo[13.3.1]nonadec-16-ene-18,19-dione
  参考文献：
  名称：

  Synthesis of pyrimidinocyclophanes having a bridging nitrogen atom

  摘要：

  Reactions of 1,3-bis(omega-bromoalkyl)-substituted uracils, quinazoline-2,4-dione, and 5-methyl-1,3,5-triazine-2,4,6-trione and 1,3-bis(m-bromomethylbenzyl)-5-bromouracil with amines (aliphatic amines, benzylamines, naphthylmethanamine, and anisidine) gave a series of macrocyclic compounds having one pyrimidine or triazine fragment and an azapolymethylene bridge connecting the N-1 and N-3 atoms of the heteroring. The bridging nitrogen atom in some macrocyclic compounds was subjected to quaternization with methyl p-toluenesulfonate.

  DOI：

  10.1134/s1070428008060183
• 作为产物：
  描述：

  1,6-二溴己烷 、 2,4-喹唑啉二酮 在 sodium butanolate 作用下， 以 仲丁醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 以36%的产率得到1,3-bis(6-bromohexyl)-1,2,3,4-tetrahydroquinazoline-2,4-dione
  参考文献：
  名称：

  Synthesis of pyrimidinocyclophanes having a bridging nitrogen atom

  摘要：

  Reactions of 1,3-bis(omega-bromoalkyl)-substituted uracils, quinazoline-2,4-dione, and 5-methyl-1,3,5-triazine-2,4,6-trione and 1,3-bis(m-bromomethylbenzyl)-5-bromouracil with amines (aliphatic amines, benzylamines, naphthylmethanamine, and anisidine) gave a series of macrocyclic compounds having one pyrimidine or triazine fragment and an azapolymethylene bridge connecting the N-1 and N-3 atoms of the heteroring. The bridging nitrogen atom in some macrocyclic compounds was subjected to quaternization with methyl p-toluenesulfonate.

  DOI：

  10.1134/s1070428008060183