6-<(O-Ethylcystein-S-yl)methyl>-6'-methyl-2,2'-bipyridine | 145273-47-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 6-<(O-Ethylcystein-S-yl)methyl>-6'-methyl-2,2'-bipyridine
• 英文别名: 6-[(O-Ethylcystein-S-yl)methyl]-6'-methyl-2,2'-bipyridine；ethyl (2R)-2-amino-3-[[6-(6-methylpyridin-2-yl)pyridin-2-yl]methylsulfanyl]propanoate
• CAS: 145273-47-8
• 化学式: C₁₇H₂₁N₃O₂S
• 分子量: 331.439
• InChiKey: LAWGLZMFGQJUQF-AWEZNQCLSA-N

物化性质

• 沸点：
  466.5±45.0 °C(Predicted)
• 密度：
  1.193±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  103
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 6-<(O-Ethylcystein-S-yl)methyl>-6'-methyl-2,2'-bipyridine 反应 12.0h， 以75%的产率得到6-<(N-Acetyl-O-ethylcystein-S-yl)methyl>-6'-methyl-2,2'-bipyridine
  参考文献：
  名称：

  Bipyridyl amino acid-metal complexes and their characterization by electrospray mass spectrometry

  摘要：

  The syntheses of bipyridylalanine and related bipyridyl-functionalized peptide derivatives are described. The copper complexes of several peptide-bipyridyls were prepared and characterized. Application of electrospray ionization mass spectrometry to the structure determination of cationic bipyridyl Cu+ complexes 2 and 3, as well as peptide-metal complexes 18-22, was explored.

  DOI：

  10.1021/jo00051a049
• 作为产物：
  描述：

  L-半胱氨酸乙酯盐酸盐 、 6-(bromomethyl)-6'-methyl-2,2'-bipyridine 在 三乙胺 作用下， 以50%的产率得到6-<(O-Ethylcystein-S-yl)methyl>-6'-methyl-2,2'-bipyridine
  参考文献：
  名称：

  Bipyridyl amino acid-metal complexes and their characterization by electrospray mass spectrometry

  摘要：

  The syntheses of bipyridylalanine and related bipyridyl-functionalized peptide derivatives are described. The copper complexes of several peptide-bipyridyls were prepared and characterized. Application of electrospray ionization mass spectrometry to the structure determination of cationic bipyridyl Cu+ complexes 2 and 3, as well as peptide-metal complexes 18-22, was explored.

  DOI：

  10.1021/jo00051a049