1,3-dimethyl-6-(2-dimethylaminoethenyl)pyrimidine-2,4(1H,3H)-dione | 112500-83-1

• 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: 1,3-dimethyl-6-(2-dimethylaminoethenyl)pyrimidine-2,4(1H,3H)-dione
• 英文别名: 5-Formyl-1,3-dimethyl-6-(2-dimethylaminovinyl)uracil；4-[2-(dimethylamino)ethenyl]-1,3-dimethyl-2,6-dioxopyrimidine-5-carbaldehyde
• CAS: 112500-83-1
• 化学式: C₁₁H₁₅N₃O₃
• 分子量: 237.258
• InChiKey: QTEVBEHSGMOJGM-UHFFFAOYSA-N

物化性质

• 沸点：
  311.5±52.0 °C(Predicted)
• 密度：
  1.340±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.4
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  60.9
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1,3-dimethyl-6-(2-dimethylaminoethenyl)pyrimidine-2,4(1H,3H)-dione 在 三氟乙酸 作用下， 以 氘代氯仿 为溶剂， 反应 2.0h， 生成
  参考文献：
  名称：

  Generation and properties of the 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrano[4,3-d]pyrimidinium cation in a chloroform–trifluoroacetic acid solution

  摘要：

  The 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrano[4,3-d]pyrimidinium cation has been prepared by means of acid-catalyzed cyclization of 1,3-dimethyl-6-(2-dimethylaminoethenyl)pyrimidine-2,4(1H,3H)-dione in a chloroform-trifluoroacetic acid solution, and its reactivity towards N-nucleophiles has been determined.

  DOI：

  10.1016/j.mencom.2009.05.015

文献信息

• Substituted 1,3-dialkylpyrido[4,3-d]pyrimidine-2,4-diones
  申请人：Nippon Zoki Pharmaceutical Co., Ltd.

  公开号：US04808618A1

  公开（公告）日：1989-02-28

  The present invention relates to a novel pyrido[4,3-d]pyrimidine derivative having the formula (I): ##STR1## wherein each of R.sub.1 and R.sub.2, which may be the same or different, is a lower alkyl group; R.sub.3 is hydrogen, halogen, hydroxy, amino, hydroxyamino, imino, hydrazino or a lower alkylamino group which may optionally have hydroxy, amino or a lower alkylamino group; and R.sub.4 is hydrogen, amino, --NH.sup..crclbar. or a lower alkyl group which may optionally have hydroxy, amino or a lower alkylamino group; and pharmaceutically acceptable salt thereof. These compounds are useful as anti-allergic agents, for example, for the treatment of bronchial asthma, urticaria, allergic rhinitis, allergic dermatoses or allergic conjunctivitis.

  本发明涉及一种新的吡啶并[4,3-d]嘧啶衍生物，其化学式为（I）：##STR1## 其中R.sub.1和R.sub.2各自可能相同或不同，是低碳基团；R.sub.3是氢、卤素、羟基、氨基、羟氨基、亚氨基、叠氮基或者是可能带有羟基、氨基或低碳基团的低碳基团；R.sub.4是氢、氨基、--NH.sup..crclbar.或者是可能带有羟基、氨基或低碳基团的低碳基团；以及其药学上可接受的盐。这些化合物可用作抗过敏剂，例如用于治疗支气管哮喘、荨麻疹、过敏性鼻炎、过敏性皮肤病或过敏性结膜炎。