1-[(4-Methoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazinane-2,4,6-trione | 847686-58-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-[(4-Methoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-1,3,5-triazinane-2,4,6-trione
• CAS: 847686-58-2
• 化学式: C₁₉H₁₆F₃N₃O₅
• 分子量: 423.348
• InChiKey: SZSQCFJESYMMRC-UHFFFAOYSA-N

物化性质

• 密度：
  1.434±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  88.2
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  1-[(4-Methoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-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
  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：

  4-(三氟甲氧基)苯甲胺 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 1-[(4-Methoxyphenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]methyl]-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

• 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.