7-methoxy-3,4-dihydronaphthalen-2-yl nonafluorobutanesulfonate | 1346777-30-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 7-methoxy-3,4-dihydronaphthalen-2-yl nonafluorobutanesulfonate
• CAS: 1346777-30-7
• 化学式: C₁₅H₁₁F₉O₄S
• 分子量: 458.302
• InChiKey: HQCRKGHPERTFEA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.75
• 重原子数：
  29.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  52.6
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  7-methoxy-3,4-dihydronaphthalen-2-yl nonafluorobutanesulfonate 、 三乙基(三氟甲基)硅烷 在 rubidium fluoride 、 bis(η3-allyl-μ-chloropalladium(II)) 、 2-二-叔丁膦基-2',4',6'-三异丙基联苯 作用下， 以 1,4-二氧六环 为溶剂， 反应 10.0h， 以80%的产率得到6-Methoxy-3-(trifluoromethyl)-1,2-dihydronaphthalene
  参考文献：
  名称：

  The Palladium-Catalyzed Trifluoromethylation of Vinyl Sulfonates

  摘要：

  A method for the palladium-catalyzed trifluoromethylation of cyclohexenyl sulfonates has been developed. Various cyclohexenyl triflates and nonaflates underwent trifluoromethylation under mild reaction conditions using a catalyst system composed of Pd(dba)(2) or [(ally1)PdCl](2) and the monodentate biaryl phosphine ligand (t)BuXPhos. The trifluoromethyl anion (CF3-) or its equivalent for the process was generated in situ from TMSCF3 in combination with KF or TESCF3 in combination with RbF.

  DOI：

  10.1021/ol202885w
• 作为产物：
  描述：

  全氟丁基磺酰氟 、 7-甲氧基-2-萘满酮 在 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 为溶剂， 生成 7-methoxy-3,4-dihydronaphthalen-2-yl nonafluorobutanesulfonate
  参考文献：
  名称：

  The Palladium-Catalyzed Trifluoromethylation of Vinyl Sulfonates

  摘要：

  A method for the palladium-catalyzed trifluoromethylation of cyclohexenyl sulfonates has been developed. Various cyclohexenyl triflates and nonaflates underwent trifluoromethylation under mild reaction conditions using a catalyst system composed of Pd(dba)(2) or [(ally1)PdCl](2) and the monodentate biaryl phosphine ligand (t)BuXPhos. The trifluoromethyl anion (CF3-) or its equivalent for the process was generated in situ from TMSCF3 in combination with KF or TESCF3 in combination with RbF.

  DOI：

  10.1021/ol202885w