2-(1-Oxy-pyridin-2-ylsulfanyl)-1-phenyl-ethanone | 51315-11-8

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-(1-Oxy-pyridin-2-ylsulfanyl)-1-phenyl-ethanone
• 英文别名: 2-[(2-Oxo-2-phenylethyl)thio]pyridinium-1-olate；2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-phenylethanone
• CAS: 51315-11-8
• 化学式: C₁₃H₁₁NO₂S
• 分子量: 245.302
• InChiKey: MKNZGOPMKVYLLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  67.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(1-Oxy-pyridin-2-ylsulfanyl)-1-phenyl-ethanone 在 间氯过氧苯甲酸 作用下， 以 1,4-二氧六环 、 氯仿 为溶剂， 反应 24.0h， 生成 2-Benzoyl-3,6-dihydro-4,5-dimethyl-2H-thiopyran
  参考文献：
  名称：

  Formation of Thioaldehyde Intermediates by Thermolysis of Sulfoxides Bearing Some Heteroaromatics

  摘要：

  Thermal reactions of phenacyl sulfoxide bearing heterocycles, such as a 2-benzothiazolyl or N-oxypyridyl group, in the presence of 2,3-dimethyl-1,3-butadiene afforded 6-benzoyl-5,6-dihydro-3,4-dimethyl-2H-thiapyran in good yield. This product is considered to be formed by the Diels-Alder reaction of a diene with thioaldehyde formed initially by the decomposition of sulfoxides.

  DOI：

  10.1021/jo9700181

文献信息

• Formation of Thioaldehyde Intermediates by Thermolysis of Sulfoxides Bearing Some Heteroaromatics
  作者：Hiroyuki Morita、Masahiro Takeda、Takayoshi Fujii、Toshiaki Yoshimura、Choichiro Shimasaki

  DOI：10.1021/jo9700181

  日期：1997.12.1

  Thermal reactions of phenacyl sulfoxide bearing heterocycles, such as a 2-benzothiazolyl or N-oxypyridyl group, in the presence of 2,3-dimethyl-1,3-butadiene afforded 6-benzoyl-5,6-dihydro-3,4-dimethyl-2H-thiapyran in good yield. This product is considered to be formed by the Diels-Alder reaction of a diene with thioaldehyde formed initially by the decomposition of sulfoxides.