Butyl 2-ethoxycarbothioylsulfanylpropanoate | 1498297-85-0

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫代缩醛
• 英文名称: Butyl 2-ethoxycarbothioylsulfanylpropanoate
• 英文别名: butyl 2-ethoxycarbothioylsulfanylpropanoate
• CAS: 1498297-85-0
• 化学式: C₁₀H₁₈O₃S₂
• 分子量: 250.383
• InChiKey: QNPNOCLYHSADGZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.77
• 重原子数：
  15.0
• 可旋转键数：
  6.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  35.53
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  1-甲基-2-吡啶酮 、 Butyl 2-ethoxycarbothioylsulfanylpropanoate 在 过氧化双月桂酰 作用下， 以 1,2-二氯乙烷 为溶剂， 以70%的产率得到diethyl 2-methyl-2-(1-methyl-2-oxo-1,2-dihydropyridin-3-yl)malonate
  参考文献：
  名称：

  Manganese-Mediated C3-Selective Direct Alkylation and Arylation of 2-Pyridones with Diethyl Malonates and Arylboronic Acids

  摘要：

  A manganese-mediated dehydrogenative direct alkylation of 2-pyridones with diethyl malonates has been developed. A similar reaction system is applicable to the direct arylation with arylboronic acids. These manganese-based reactions occur regioselectively at the C3 position of the 2-pyridones. The observed high C3 regioselectivity can complement precedented C-H functionalization protocols of the 2-pyridones in view of the site selectivity.

  DOI：

  10.1021/jo4027885

文献信息

• Manganese-Mediated C3-Selective Direct Alkylation and Arylation of 2-Pyridones with Diethyl Malonates and Arylboronic Acids
  作者：Akihiro Nakatani、Koji Hirano、Tetsuya Satoh、Masahiro Miura

  DOI：10.1021/jo4027885

  日期：2014.2.7

  A manganese-mediated dehydrogenative direct alkylation of 2-pyridones with diethyl malonates has been developed. A similar reaction system is applicable to the direct arylation with arylboronic acids. These manganese-based reactions occur regioselectively at the C3 position of the 2-pyridones. The observed high C3 regioselectivity can complement precedented C-H functionalization protocols of the 2-pyridones in view of the site selectivity.