(4,6-Dichloro-[1,3,5]triazin-2-yl)-propyl-(4-vinyl-benzyl)-amine | 88343-48-0

• 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: (4,6-Dichloro-[1,3,5]triazin-2-yl)-propyl-(4-vinyl-benzyl)-amine
• CAS: 88343-48-0
• 化学式: C₁₅H₁₆Cl₂N₄
• 分子量: 323.225
• InChiKey: ANOQQWIMHQILLF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  21.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  41.91
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (4,6-Dichloro-[1,3,5]triazin-2-yl)-propyl-(4-vinyl-benzyl)-amine 在 sodium carbonate 作用下， 以 水 为溶剂， 生成 6-[Propyl-(4-vinyl-benzyl)-amino]-[1,3,5]triazine-2,4-diol
  参考文献：
  名称：

  NMR analysis of thione-thiol tautomerization of a triazine derivative in the solid state and in acetone solution

  摘要：

  The important dental material referred to as 6-[(4-vinylbenzyl)propylamino]-1,3,5-triazine-2,4-dithione (VBATDT), which may have the thione-thiol tautomerization, was confirmed for the first time to have the dithione structure in the solid state by using N-15 CP/MAS NMR with the dipolar dephasing technique. VBATDT was also shown to have the dithione structure in acetone solution by comparison of the C-13 NMR spectrum with the corresponding solid state spectrum. (C) 1998 Elsevier Science B.V.

  DOI：

  10.1016/s0022-2860(97)00253-6
• 作为产物：
  描述：

  4-氯甲基苯乙烯 在 sodium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 3.0h， 生成 (4,6-Dichloro-[1,3,5]triazin-2-yl)-propyl-(4-vinyl-benzyl)-amine
  参考文献：
  名称：

  NMR analysis of thione-thiol tautomerization of a triazine derivative in the solid state and in acetone solution

  摘要：

  The important dental material referred to as 6-[(4-vinylbenzyl)propylamino]-1,3,5-triazine-2,4-dithione (VBATDT), which may have the thione-thiol tautomerization, was confirmed for the first time to have the dithione structure in the solid state by using N-15 CP/MAS NMR with the dipolar dephasing technique. VBATDT was also shown to have the dithione structure in acetone solution by comparison of the C-13 NMR spectrum with the corresponding solid state spectrum. (C) 1998 Elsevier Science B.V.

  DOI：

  10.1016/s0022-2860(97)00253-6