1-Benzyl-3-(2,6-difluoro-benzyl)-[1,3,5]triazinane-2,4,6-trione | 847686-52-6

• 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-(2,6-difluoro-benzyl)-[1,3,5]triazinane-2,4,6-trione
• CAS: 847686-52-6
• 化学式: C₁₇H₁₃F₂N₃O₃
• 分子量: 345.305
• InChiKey: RGWUAZZYOIZSMN-UHFFFAOYSA-N

物化性质

• 密度：
  1.444±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.07
• 重原子数：
  25.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  76.86
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-Benzyl-3-(2,6-difluoro-benzyl)-[1,3,5]triazinane-2,4,6-trione 在 偶氮二甲酸二叔丁酯 、 三苯基膦 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 1-(2-Amino-ethyl)-3-benzyl-5-(2,6-difluoro-benzyl)-[1,3,5]triazinane-2,4,6-trione
  参考文献：
  名称：

  A convenient one-pot synthesis of asymmetric 1,3,5-triazine-2,4,6-triones and its application towards a novel class of gonadotropin-releasing hormone receptor antagonists

  摘要：

  A convenient one-pot synthetic route was developed for the preparation of asymmetric 1,3-dialkyl-1,3,5-triazine-2,4,6-triones from readily available alkyl- or aryl-isocyanates, primary amines and N-chlorocarbonyl isocyanate in excellent yields. Subsequent alkylation with N-protected amino alcohols afforded the desired 1, 3,5 -triazine-2,4,6-triones in good yields. This methodology was applied to the synthesis of a chemical library acting as antagonists of the hGnRH receptor. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.026
• 作为产物：
  描述：

  2,6-二氟苄胺 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-Benzyl-3-(2,6-difluoro-benzyl)-[1,3,5]triazinane-2,4,6-trione
  参考文献：
  名称：

  A convenient one-pot synthesis of asymmetric 1,3,5-triazine-2,4,6-triones and its application towards a novel class of gonadotropin-releasing hormone receptor antagonists

  摘要：

  A convenient one-pot synthetic route was developed for the preparation of asymmetric 1,3-dialkyl-1,3,5-triazine-2,4,6-triones from readily available alkyl- or aryl-isocyanates, primary amines and N-chlorocarbonyl isocyanate in excellent yields. Subsequent alkylation with N-protected amino alcohols afforded the desired 1, 3,5 -triazine-2,4,6-triones in good yields. This methodology was applied to the synthesis of a chemical library acting as antagonists of the hGnRH receptor. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.11.026