1-allyl-3-phenyl-[1,3,5]triazinane-2,4,6-trione | 67159-93-7

• 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-allyl-3-phenyl-[1,3,5]triazinane-2,4,6-trione
• 英文别名: 3-phenyl-5-allyl isocyanuric acid；1-Phenyl-3-prop-2-enyl-1,3,5-triazinane-2,4,6-trione
• CAS: 67159-93-7
• 化学式: C₁₂H₁₁N₃O₃
• 分子量: 245.238
• InChiKey: PRURMICSLDEVGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  18
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  69.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  1-苯基-3-(丙烯-2-基)脲 、 N-(氯甲酰)异氰酸酯 以 二氯甲烷 为溶剂， 生成 1-allyl-3-phenyl-[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

文献信息

• US4085268A
  申请人：——

  公开号：US4085268A

  公开（公告）日：1978-04-18
• 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
  作者：Zhiqiang Guo、Dongpei Wu、Yun-Fei Zhu、Fabio C. Tucci、Joseph Pontillo、John Saunders、Qiu Xie、R. Scott Struthers、Chen Chen

  DOI：10.1016/j.bmcl.2004.11.026

  日期：2005.2

  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.