6-Methyl-3-p-tolylsulfanyl-pyridin-2-ol | 878140-62-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 6-Methyl-3-p-tolylsulfanyl-pyridin-2-ol
• CAS: 878140-62-6
• 化学式: C₁₃H₁₃NOS
• 分子量: 231.318
• InChiKey: FBIFSDLVNAPCCN-UHFFFAOYSA-N

物化性质

• 沸点：
  438.5±45.0 °C(Predicted)
• 密度：
  1.21±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.56
• 重原子数：
  16.0
• 可旋转键数：
  2.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  33.12
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  6-Methyl-3-p-tolylsulfanyl-pyridin-2-ol 在 三氯氧磷 作用下， 生成 2-chloro-6-methyl-3-(4-methylphenyl)sulfanylpyridine
  参考文献：
  名称：

  Synthesis and evaluation of 2-anilino-3-phenylsulfonyl-6-methylpyridines as corticotropin-releasing factor1 receptor ligands

  摘要：

  A novel series of 2-anilino-3-phenylsulfonyl-6-methylpyridines was synthesized and evaluated as corticotropin-releasing factor receptor ligands. Structure-activity relationship studies focused primarily on optimization of the 3-phenylsulfonyl group. Compounds within this series were identified which showed potent binding affinity for the CRFI receptor. Selected compounds were examined in a rat pharmacokinetic study and were found to have oral bioavailabilities ranging from 16 to 35%. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.097
• 作为产物：
  描述：

  2-羟基-6-甲基吡啶 、 alkaline earth salt of/the/ methylsulfuric acid 在 copper(l) iodide 、 碘 、 sodium hydride 、 碳酸氢钠 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 6-Methyl-3-p-tolylsulfanyl-pyridin-2-ol
  参考文献：
  名称：

  Synthesis and evaluation of 2-anilino-3-phenylsulfonyl-6-methylpyridines as corticotropin-releasing factor1 receptor ligands

  摘要：

  A novel series of 2-anilino-3-phenylsulfonyl-6-methylpyridines was synthesized and evaluated as corticotropin-releasing factor receptor ligands. Structure-activity relationship studies focused primarily on optimization of the 3-phenylsulfonyl group. Compounds within this series were identified which showed potent binding affinity for the CRFI receptor. Selected compounds were examined in a rat pharmacokinetic study and were found to have oral bioavailabilities ranging from 16 to 35%. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.097