2-amino-6-(4-chlorophenyl)-4-(4-fluorophenyl)pyridine-3-carboxamide | 190319-70-1

• 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: 2-amino-6-(4-chlorophenyl)-4-(4-fluorophenyl)pyridine-3-carboxamide
• CAS: 190319-70-1
• 化学式: C₁₈H₁₃ClFN₃O
• 分子量: 341.772
• InChiKey: GSGPRKKZRXJUJP-UHFFFAOYSA-N

物化性质

• 沸点：
  482.4±45.0 °C(Predicted)
• 密度：
  1.365±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.89
• 重原子数：
  24.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.0
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-amino-6-(4-chlorophenyl)-4-(4-fluorophenyl)pyridine-3-carboxamide 在 sodium hydroxide 、 四丁基溴化铵 作用下， 以 二苯醚 、 二氯甲烷 为溶剂， 反应 12.0h， 生成 [(2R,3R,4R,5R)-3,4-dibenzoyloxy-5-[7-(4-chlorophenyl)-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-4-oxo-2-sulfanylidenepyrido[2,3-d]pyrimidin-1-yl]oxolan-2-yl]methyl benzoate
  参考文献：
  名称：

  SYNTHESIS OF RIBONUCLEOSIDES OF 2-THIOXOPYRIDO [2,3-d]PYRIMIDINES BY PHASE TRANSFER CATALYSIS AND THEIR ANTIMICROBIAL ACTIVITY

  摘要：

  The ribonucleosides viz; 2-thioxo-3,5,7-trisubstituted-1-(2,3,5-tri-O-benzoyl-beta -D-ribofuranosyl)pyrido[2,3-d]pyrimidine-4 (1H)-ones have been synthesized via phase transfer ribosylation of 2-thioxo- 3,5,7-trisubstituted pyrido[2,3-d]pyrimidine-4(IH)-ones with 2,3,5-tri-O-benzoyl-beta -D- ribofuranosyl bromide in biphasic solvent such as CH2Cl2-50% aqueous NaOH using tetrabutylammonium bromide as phase transfer catalysis (PTC). The synthesized compounds have been characterized by elemental analyses, spectral data and screened for their antimicrobial activity.

  DOI：

  10.1080/10426509808033729
• 作为产物：
  描述：

  2-amino-3-cyano-6-(4-chlorophenyl)-4-(4-fluorophenyl)pyridine 在 氢氧化钾 作用下， 反应 22.0h， 生成 2-amino-6-(4-chlorophenyl)-4-(4-fluorophenyl)pyridine-3-carboxamide
  参考文献：
  名称：

  SYNTHESIS OF RIBONUCLEOSIDES OF 2-THIOXOPYRIDO [2,3-d]PYRIMIDINES BY PHASE TRANSFER CATALYSIS AND THEIR ANTIMICROBIAL ACTIVITY

  摘要：

  The ribonucleosides viz; 2-thioxo-3,5,7-trisubstituted-1-(2,3,5-tri-O-benzoyl-beta -D-ribofuranosyl)pyrido[2,3-d]pyrimidine-4 (1H)-ones have been synthesized via phase transfer ribosylation of 2-thioxo- 3,5,7-trisubstituted pyrido[2,3-d]pyrimidine-4(IH)-ones with 2,3,5-tri-O-benzoyl-beta -D- ribofuranosyl bromide in biphasic solvent such as CH2Cl2-50% aqueous NaOH using tetrabutylammonium bromide as phase transfer catalysis (PTC). The synthesized compounds have been characterized by elemental analyses, spectral data and screened for their antimicrobial activity.

  DOI：

  10.1080/10426509808033729