1,3-bis(5-bromopentyl)-5-methyl-1,2,3,4,5,6-hexahydro-1,3,5-triazine-2,4,6-trione | 406911-37-3

• 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: 1,3-bis(5-bromopentyl)-5-methyl-1,2,3,4,5,6-hexahydro-1,3,5-triazine-2,4,6-trione
• 英文别名: 1,3-Bis(5-bromopentyl)-5-methylhexahydro-1,3,5-triazine-2,4,6-trione；1,3-bis(5-bromopentyl)-5-methyl-1,3,5-triazinane-2,4,6-trione
• CAS: 406911-37-3
• 化学式: C₁₄H₂₃Br₂N₃O₃
• 分子量: 441.163
• InChiKey: FNBLQYOHZDHLGL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  22
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.79
• 拓扑面积：
  60.9
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-bis(5-bromopentyl)-5-methyl-1,2,3,4,5,6-hexahydro-1,3,5-triazine-2,4,6-trione 在 potassium carbonate 作用下， 以 甲醇 、 水 为溶剂， 反应 2.0h， 生成 1,3-Bis-(5-mercapto-pentyl)-5-methyl-[1,3,5]triazinane-2,4,6-trione
  参考文献：
  名称：

  摘要：

  1-Methyl and 1-benzyl 3,5-bis(omega -haloalkyl) isocyanurates were reacted with thiourea to obtain 1-methyl and 1-benzyl 3,5-bis[omega-[amino(imino)methylmercapto]alkyl] isocyanurates, respectively. Hydrolysis of the latter gave the corresponding 3,5-bis(omega -mercaproalkyl) izocyanurates.

  DOI：

  10.1023/a:1012352006573
• 作为产物：
  描述：

  1,5-二溴戊烷 、 monomethylisocyanuric acid 在 sodium 、 正丁醇 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以63%的产率得到1,3-bis(5-bromopentyl)-5-methyl-1,2,3,4,5,6-hexahydro-1,3,5-triazine-2,4,6-trione
  参考文献：
  名称：

  摘要：

  1-Methyl or 1-benzyl 3,5-bis(omega-bromoalkyl) isocyanurates with the alkyl chain comprising 3 through 6 methylene units were synthesized by the reaction of disodium methyl and benzyl isocyanurates with alpha,omega-dibromoalkanes. The reaction of disodium methyl and benzyl isocyanurates with ethylene chlorohydrin was used to obtain 1-methyl or 1-benzyl 3,5-bis(2-hydroxyethyl) isocyanurates whose treatment with PBr3 or SOCl2 gave the corresponding 1-alkyl 3,5-bis(2-haloethyl) isocyanurates. 1-Methyl and 1-benzyl 3,5-bis(chloromethyl) isocyanurates were prepared by treatment With SOCl2 of 1-methyl or 1-benzyl 3,5-bis(hydroxymethyl) isocyanurates obtained, in their turn, by condensation of methyl and benzyl isocyanurates with formaldehyde.

  DOI：

  10.1023/a:1013166023627

文献信息

• Synthesis of pyrimidinocyclophanes having a bridging nitrogen atom
  作者：V. E. Semenov、A. E. Nikolaev、A. V. Kozlov、Yu. Ya. Efremov、Sh. K. Latypov、V. S. Reznik

  DOI：10.1134/s1070428008060183

  日期：2008.6

  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.