1-(2-ethyl-3a,4,7,7a-tetrahydro-5-methyl-4-tosylfuro[3,2-b]-pyridine-7-yl)ethanone | 1400892-48-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-(2-ethyl-3a,4,7,7a-tetrahydro-5-methyl-4-tosylfuro[3,2-b]-pyridine-7-yl)ethanone
• 英文别名: 1-[2-ethyl-5-methyl-4-(4-methylphenyl)sulfonyl-7,7a-dihydro-3aH-furo[3,2-b]pyridin-7-yl]ethanone
• CAS: 1400892-48-9
• 化学式: C₁₉H₂₃NO₄S
• 分子量: 361.462
• InChiKey: RZRQALJQJWXILY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  25
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  72.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1-(2-ethyl-3a,4,7,7a-tetrahydro-5-methyl-4-tosylfuro[3,2-b]-pyridine-7-yl)ethanone 在 aluminum oxide 作用下， 以 二氯甲烷 为溶剂， 生成 1-(4-acetyl-6-methyl-1-tosyl-1,2-dihydropyridin-2-yl)butan-2-one
  参考文献：
  名称：

  Copper-Catalyzed Nitrene Transfer as a Tool for the Synthesis of N-Substituted 1,2-Dihydro- and 1,2,3,4-Tetrahydropyridines

  摘要：

  The sequential reaction of two different furans and PhI=NTs produces 1,2-dihydropyridines in a quantitative manner in the presence of Tp(Br3)Cu(NCMe) (Tp(Br3) = hydrotris(3,4,5-tribromopyrazolyl)borate) as the catalyst under very mild conditions. The use of a furan and ethyl vinyl ether with PhI=NTs has led to the corresponding 1,2,3,4-tetrahydropyridine.

  DOI：

  10.1021/om3008234
• 作为产物：
  描述：

  2,5-二甲基呋喃 在 hydrotris(3,4,5-tribromopyrazolyl)borateCu(NCMe) 作用下， 以 二氯甲烷 为溶剂， 反应 27.0h， 生成 1-(2-ethyl-3a,4,7,7a-tetrahydro-5-methyl-4-tosylfuro[3,2-b]-pyridine-7-yl)ethanone
  参考文献：
  名称：

  Copper-Catalyzed Nitrene Transfer as a Tool for the Synthesis of N-Substituted 1,2-Dihydro- and 1,2,3,4-Tetrahydropyridines

  摘要：

  The sequential reaction of two different furans and PhI=NTs produces 1,2-dihydropyridines in a quantitative manner in the presence of Tp(Br3)Cu(NCMe) (Tp(Br3) = hydrotris(3,4,5-tribromopyrazolyl)borate) as the catalyst under very mild conditions. The use of a furan and ethyl vinyl ether with PhI=NTs has led to the corresponding 1,2,3,4-tetrahydropyridine.

  DOI：

  10.1021/om3008234