1-benzyl-3,5-bis(2-hydroxyethyl)-1,3,5-triazine-2(1H),4(3H),6(5H)-trione | 420087-79-2

• 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-benzyl-3,5-bis(2-hydroxyethyl)-1,3,5-triazine-2(1H),4(3H),6(5H)-trione
• 英文别名: 1-benzyl-3,5-bis(ω-hydroxyethyl)isocyanurate；1-Benzyl 3,5-bis(2-hydroxyethyl) isocyanurate；1-benzyl-3,5-bis(2-hydroxyethyl)-1,3,5-triazinane-2,4,6-trione
• CAS: 420087-79-2
• 化学式: C₁₄H₁₇N₃O₅
• 分子量: 307.306
• InChiKey: HFQQSLAQKPZMNF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-benzyl-3,5-bis(2-hydroxyethyl)-1,3,5-triazine-2(1H),4(3H),6(5H)-trione 在 三溴化磷 作用下， 以 1,2-二氯乙烷 为溶剂， 以36%的产率得到1-benzyl-3,5-bis(2-bromoethyl)-1,3,5-triazine-2(1H),4(3H),6(5H)-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
• 作为产物：
  描述：

  1-benzyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione 、 2-氯乙醇 在 sodium 、 正丁醇 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以81%的产率得到1-benzyl-3,5-bis(2-hydroxyethyl)-1,3,5-triazine-2(1H),4(3H),6(5H)-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 1-Alkyl 3,5-Bis( -mercaptoacetoalkyl) Isocyanurates and Macrocyclic Disulfides Derived Thereof
  作者：S. G. Fattakhov、M. M. Shulaeva、A. T. Gubaidullin、I. A. Litvinov、A. A. Nafikova、Sh. K. Latypov、V. S. Reznik

  DOI：10.1023/b:rugc.0000007661.56422.a7

  日期：2003.8

  1-Alkyl 3,5-bis(omega-hydroxyalkyl) isocyanurates were reacted with mercaptoacetic acid to obtain 3,5-bis(omega-mercaptoacetoxyalkyl) isocyanurates whose oxidation gives rise to macrocyclic disulfides.