乙基4-肼基-2-甲基-5-嘧啶羧酸酯 | 101251-42-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 乙基4-肼基-2-甲基-5-嘧啶羧酸酯
• 中文别名: 5-嘧啶羧酸,4-肼基-2-甲基-,乙基酯(6CI,9CI)
• 英文名称: 2-Methyl-4-hydrazino-5-ethoxycarbonyl-pyrimidin
• 英文别名: 4-hydrazino-2-methyl-pyrimidine-5-carboxylic acid ethyl ester；Ethyl 4-hydrazinyl-2-methylpyrimidine-5-carboxylate
• CAS: 101251-42-7
• 化学式: C₈H₁₂N₄O₂
• mdl: MFCD16660531
• 分子量: 196.209
• InChiKey: SANOQZLBOBOUSW-UHFFFAOYSA-N

物化性质

• 熔点：
  82-84 °C
• 沸点：
  331.0±52.0 °C(Predicted)
• 密度：
  1.34±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  14
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  90.1
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  柠康酸酐 、 乙基4-肼基-2-甲基-5-嘧啶羧酸酯 以 氯仿 为溶剂， 生成 2-Methyl-4-(3-methyl-2,5-dioxo-2,5-dihydro-pyrrol-1-ylamino)-pyrimidine-5-carboxylic acid ethyl ester
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7
• 作为产物：
  描述：

  4-氯-2-甲基嘧啶-5-甲酸乙酯 在 肼 作用下， 生成 乙基4-肼基-2-甲基-5-嘧啶羧酸酯
  参考文献：
  名称：

  Novel inhibitors of AP-1 and NF-κB mediated gene expression: structure–activity relationship studies of ethyl 4-[(3-Methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate

  摘要：

  In an effort to identify novel inhibitors of AP-1 and NF-kappa B mediated transcriptional activation, several analogues of ethyl 4-[(3-methyl-2,5-dioxo(3-pyrrolinyl))amino]-2-(trifluoromethyl)pyrimidine-5-carboxylate (1) were synthesized and tested in two in vitro assays. The 2-(2'-thienyl) substituted compound (II) was identified as the most potent in this series. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00312-7