6-(2-phenylethyl)-7-trifluoromethyl-1,3-dimethyl-1,2,3,4,6,7-hexahydropyrimido[4,5-d]pyrimidine-2,4-dione | 1023284-58-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 6-(2-phenylethyl)-7-trifluoromethyl-1,3-dimethyl-1,2,3,4,6,7-hexahydropyrimido[4,5-d]pyrimidine-2,4-dione
• 英文别名: 1,3-dimethyl-6-(2-phenylethyl)-7-(trifluoromethyl)-7H-pyrimido[4,5-d]pyrimidine-2,4-dione
• CAS: 1023284-58-3
• 化学式: C₁₇H₁₇F₃N₄O₂
• 分子量: 366.343
• InChiKey: HANKDIPRFMXIHW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  56.2
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  6-amino-1,3-dimethyl-5-[N-(2-phenylethyl)iminomethyl]uracil 、 1-乙氧基-2,2,2-三氟乙醇 在 对甲苯磺酸 作用下， 以 二甲基亚砜 为溶剂， 以23%的产率得到6-(2-phenylethyl)-7-trifluoromethyl-1,3-dimethyl-1,2,3,4,6,7-hexahydropyrimido[4,5-d]pyrimidine-2,4-dione
  参考文献：
  名称：

  Synthesis of trifluoromethyl‐1,2,4‐triazine‐ and trifluoromethylpyrimidine‐fused uracils

  摘要：

  Abstractmagnified imageA variety of trifluoromethyl‐1,2,4‐triazine‐ and trifluoromethylpyrimidine‐fused uracils (9), (12), (15) and (18) were synthesized from trifluoroacetaldehyde ethyl hemiacetal or trifluoroacetic anhydride and corresponding uracil derivatives.

  DOI：

  10.1002/jhet.5570450249

文献信息

• Synthesis of trifluoromethyl‐1,2,4‐triazine‐ and trifluoromethylpyrimidine‐fused uracils
  作者：Masahiko Takahashi、Kazuhiko Akiyama、Takumi Suzuki、Hiroshi Inoue

  DOI：10.1002/jhet.5570450249

  日期：2008.3

  Abstractmagnified imageA variety of trifluoromethyl‐1,2,4‐triazine‐ and trifluoromethylpyrimidine‐fused uracils (9), (12), (15) and (18) were synthesized from trifluoroacetaldehyde ethyl hemiacetal or trifluoroacetic anhydride and corresponding uracil derivatives.