dimethyl N-[2-(4-pyridinyl)-4-pyrimidinyl]-aminomethylenemalonate | 61875-69-2

• 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: dimethyl N-[2-(4-pyridinyl)-4-pyrimidinyl]-aminomethylenemalonate
• 英文别名: 2-(2-pyridin-4-yl-pyrimidin-4-ylamino-methylene)-malonic acid dimethyl ester；Dimethyl 2-[[(2-pyridin-4-ylpyrimidin-4-yl)amino]methylidene]propanedioate
• CAS: 61875-69-2
• 化学式: C₁₅H₁₄N₄O₄
• 分子量: 314.301
• InChiKey: LNOGWWVYRUEYQL-UHFFFAOYSA-N

物化性质

• 熔点：
  209-211 °C(Solv: methanol (67-56-1))
• 沸点：
  383.4±42.0 °C(Predicted)
• 密度：
  1.327±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  diethyl 2-(ethoxymethylene)malonate 、 2-(4-吡啶基)-4-氨基嘧啶 以78%的产率得到dimethyl N-[2-(4-pyridinyl)-4-pyrimidinyl]-aminomethylenemalonate
  参考文献：
  名称：

  Novel orally active inhibitors of passive cutaneous anaphylaxis in rats: N-[2-(4-Pyridinyl)-4-pyrimidinyl] ureas and dialkyl [[[2-(4-pyridinyl)-4-pyrimidinyl]amino]methylene]malonates

  摘要：

  4-Chloro-2-(4-pyridinyl)pyrimidines were treated with alkylamines to afford the corresponding N-substituted amino derivatives. 4-Amino-2-(4-pyridinyl)pyrimidines and their N-substituted analogues were converted to amides, carbamates, aminomethylenemalonates, and ureas. Many of these compounds were found to have potential antiallergic activity as indicated by the rat passive cutaneous anaphylaxis screen. The most compounds were found in the last two series.

  DOI：

  10.1021/jm00349a014

文献信息

• LESHER, G. Y.;SINGH, B.;MIELENS, Z. E., J. MED. CHEM., 1982, 25, N 7, 837-842
  作者：LESHER, G. Y.、SINGH, B.、MIELENS, Z. E.

  DOI：——

  日期：——
• Novel orally active inhibitors of passive cutaneous anaphylaxis in rats: N-[2-(4-Pyridinyl)-4-pyrimidinyl] ureas and dialkyl [[[2-(4-pyridinyl)-4-pyrimidinyl]amino]methylene]malonates
  作者：George Y. Lesher、Baldev Singh、Zigurd Mielens

  DOI：10.1021/jm00349a014

  日期：1982.7

  4-Chloro-2-(4-pyridinyl)pyrimidines were treated with alkylamines to afford the corresponding N-substituted amino derivatives. 4-Amino-2-(4-pyridinyl)pyrimidines and their N-substituted analogues were converted to amides, carbamates, aminomethylenemalonates, and ureas. Many of these compounds were found to have potential antiallergic activity as indicated by the rat passive cutaneous anaphylaxis screen. The most compounds were found in the last two series.