| 1420042-95-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• CAS: 1420042-95-0
• 化学式: C₁₂H₂₀O₂S
• 分子量: 228.356
• InChiKey: GYSZMKMJIOGCOY-GMTAPVOTSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.49
• 重原子数：
  15.0
• 可旋转键数：
  1.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  18.46
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-碘苯甲醚 、 在 吡啶 、 2-丁烯酸乙酯 、 nickel dichloride 、 锌 作用下， 以 甲醇 为溶剂， 以50%的产率得到(+)-(1R,4R,7R)-7-[(4-methoxyphenylthio)methyl]-1,7-dimethylspiro[bicyclo[2.2.1]heptane-2,2'-[1,3]dioxolane]
  参考文献：
  名称：

  Nickel-Mediated Inter- and Intramolecular C–S Coupling of Thiols and Thioacetates with Aryl Iodides at Room Temperature

  摘要：

  A Ni(0)-catalyzed intermolecular cross-coupling of various functionalized thiols and aryl Iodides has been developed and successfully extended to less explored intramolecular versions, where thioacetates could also be utilized as the strategic surrogate. Air-stable precatalysts, very mild conditions, and an easy protocol allow rapid access to medicinally useful aryl thioethers, as demonstrated in the facile synthesis of (+/-)-chuangxinmycin as a key step.

  DOI：

  10.1021/ol303366u
• 作为产物：
  描述：

  (-)-9-Jodcampher-aethylen-acetal 在 potassium carbonate 、 caesium carbonate 作用下， 以 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.92h， 生成
  参考文献：
  名称：

  Nickel-Mediated Inter- and Intramolecular C–S Coupling of Thiols and Thioacetates with Aryl Iodides at Room Temperature

  摘要：

  A Ni(0)-catalyzed intermolecular cross-coupling of various functionalized thiols and aryl Iodides has been developed and successfully extended to less explored intramolecular versions, where thioacetates could also be utilized as the strategic surrogate. Air-stable precatalysts, very mild conditions, and an easy protocol allow rapid access to medicinally useful aryl thioethers, as demonstrated in the facile synthesis of (+/-)-chuangxinmycin as a key step.

  DOI：

  10.1021/ol303366u