1-(2-Hydroxyethyl)-5-pyridin-3-ylpyrazole-3-carboxamide | 287494-20-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 1-(2-Hydroxyethyl)-5-pyridin-3-ylpyrazole-3-carboxamide
• CAS: 287494-20-6
• 化学式: C₁₁H₁₂N₄O₂
• 分子量: 232.242
• InChiKey: ULWVAGMVLUNPKM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  94
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  7β-<2-(2-aminothiazol-4yl)-2-(Z)-methoximinoacetamide>-3-iodomethyl-2-<(trimethylsilyloxy)carbonyl>cephalosporin 、 1-(2-Hydroxyethyl)-5-pyridin-3-ylpyrazole-3-carboxamide 以 四氢呋喃 、 乙腈 为溶剂， 反应 16.0h， 生成 (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-3-[[3-[5-carbamoyl-2-(2-hydroxyethyl)pyrazol-3-yl]pyridin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
  参考文献：
  名称：

  Synthesis and structure–activity relationships of quaternary ammonium cephalosporins with 3-pyrazolylpyridinium derivatives

  摘要：

  Cephalosporins with 3-pyazolylpyridinium at C-3 position, which is supposed to exhibit synergic activity of ceftazidime and cefoselis, were synthesized and their antibacterial activity against Gram-positive and Gram-negative was inspected. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00203-1
• 作为产物：
  描述：

  Sodium 1-ethoxy-1,4-dioxo-4-(pyridin-3-yl)but-2-en-2-olate 在 ammonium hydroxide 、 溶剂黄146 作用下， 反应 42.0h， 生成 1-(2-Hydroxyethyl)-5-pyridin-3-ylpyrazole-3-carboxamide
  参考文献：
  名称：

  Synthesis and structure–activity relationships of quaternary ammonium cephalosporins with 3-pyrazolylpyridinium derivatives

  摘要：

  Cephalosporins with 3-pyazolylpyridinium at C-3 position, which is supposed to exhibit synergic activity of ceftazidime and cefoselis, were synthesized and their antibacterial activity against Gram-positive and Gram-negative was inspected. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00203-1