6-(4'-chlorophenyl)-6-morpholino-1,3,5-triazine-2,4(1H,3H)-dione

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 6-(4'-chlorophenyl)-6-morpholino-1,3,5-triazine-2,4(1H,3H)-dione
• 英文别名: 1-(4-Chlorophenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-dione
• 化学式: C₁₃H₁₃ClN₄O₃
• 分子量: 308.724
• InChiKey: FJLHTBYTYNAFAE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.31
• 拓扑面积：
  74.2
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  N-(4-chlorophenyl)morpholine-4-carbothioamide 、 silver cyanate 在 三乙胺 作用下， 以 乙腈 为溶剂， 反应 1.0h， 以89%的产率得到6-(4'-chlorophenyl)-6-morpholino-1,3,5-triazine-2,4(1H,3H)-dione
  参考文献：
  名称：

  A Novel and Convenient Synthesis of 1,3,5-Triazine-2,4(1H,3H)-diones

  摘要：

  Several 1,3, 5-triazine-2,4(1H, 3H)-diones (1 - 5) were newly synthesized by the reaction of N-substituted thiocarboamides with silver cyanate. The structure was confirmed by the X-Ray structure analysis, and the pathway affording them was estimated.

  DOI：

  10.3987/com-99-8830

文献信息

• A Novel and Convenient Synthesis of 1,3,5-Triazine-2,4(1H,3H)-diones
  作者：Isao Shibuya、Kazumasa Honda、Yasuo Gama、Masao Shimizu

  DOI：10.3987/com-99-8830

  日期：——

  Several 1,3, 5-triazine-2,4(1H, 3H)-diones (1 - 5) were newly synthesized by the reaction of N-substituted thiocarboamides with silver cyanate. The structure was confirmed by the X-Ray structure analysis, and the pathway affording them was estimated.