5-Methyl-2-(4-propylphenyl)pyridine | 904707-55-7

• 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: 5-Methyl-2-(4-propylphenyl)pyridine
• 英文别名: 5-methyl-2-(4-propylphenyl)pyridine
• CAS: 904707-55-7
• 化学式: C₁₅H₁₇N
• 分子量: 211.307
• InChiKey: SABWXVVBFAPGCM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  2-溴-5-甲基吡啶 、 4-丙基苯硼酸 在 bis(dicyclohexylamine)-palladium(II) acetate potassium phosphate 作用下， 以 乙醇 为溶剂， 生成 5-Methyl-2-(4-propylphenyl)pyridine
  参考文献：
  名称：

  Experimental and Computational Probes of a Self-Assembled Capsule

  摘要：

  This research was undertaken to explore the interior surface of a synthetic receptor 1.1 with arylpyridines as guests. The interior surface differentiates the guests through the recognition of their nitrogen atoms. Experimental and computational analyses revealed that there is a delicate balance of attractions and repulsions between the host and the lone pairs of guests.

  DOI：

  10.1021/ol0607600

文献信息

• Experimental and Computational Probes of a Self-Assembled Capsule
  作者：Tetsuo Iwasawa、Dariush Ajami、Julius Rebek

  DOI：10.1021/ol0607600

  日期：2006.7.1

  This research was undertaken to explore the interior surface of a synthetic receptor 1.1 with arylpyridines as guests. The interior surface differentiates the guests through the recognition of their nitrogen atoms. Experimental and computational analyses revealed that there is a delicate balance of attractions and repulsions between the host and the lone pairs of guests.