1-(2-methylallyloxy)-2-(4-trifluoromethylphenylethynyl)benzene | 1332460-62-4

• 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-methylallyloxy)-2-(4-trifluoromethylphenylethynyl)benzene
• 英文别名: 1-(2-Methylprop-2-enoxy)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene；1-(2-methylprop-2-enoxy)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene
• CAS: 1332460-62-4
• 化学式: C₁₉H₁₅F₃O
• 分子量: 316.323
• InChiKey: BTHOOEMFBZPRAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-(2-methylallyloxy)-2-(4-trifluoromethylphenylethynyl)benzene 在 bis(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate 、 氢气 、 (R)-2,2'-bis(diphenylphosphanyl)-1,1'-binaphthyl 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 48.0h， 以76%的产率得到(-)-(E)-2-Isopropenyl-3-(4-trifluoromethylbenzylidene)-2,3-dihydrobenzofuran
  参考文献：
  名称：

  Rhodium-Catalyzed Olefin Isomerization/Enantioselective Intramolecular Alder-Ene Reaction Cascade

  摘要：

  The olefin isomerization/enantioselective intramolecular Alder-ene reaction cascade was achieved by using a cationic rhodium(I)/(R)-BINAP complex as a catalyst. A variety of substituted dihydrobenzofurans and dihydronaphthofurans were obtained from phenol- or naphthol-linked 1,7-enynes, respectively, with good yields and ee values.

  DOI：

  10.1021/ol201986e
• 作为产物：
  描述：

  1-(Methoxymethoxy)-2-[2-[4-(trifluoromethyl)phenyl]ethynyl]benzene 在 盐酸 、 potassium carbonate 作用下， 以 四氢呋喃 、 水 、 异丙醇 、 乙腈 为溶剂， 反应 31.0h， 生成 1-(2-methylallyloxy)-2-(4-trifluoromethylphenylethynyl)benzene
  参考文献：
  名称：

  Rhodium-Catalyzed Olefin Isomerization/Enantioselective Intramolecular Alder-Ene Reaction Cascade

  摘要：

  The olefin isomerization/enantioselective intramolecular Alder-ene reaction cascade was achieved by using a cationic rhodium(I)/(R)-BINAP complex as a catalyst. A variety of substituted dihydrobenzofurans and dihydronaphthofurans were obtained from phenol- or naphthol-linked 1,7-enynes, respectively, with good yields and ee values.

  DOI：

  10.1021/ol201986e

文献信息

• Rhodium-Catalyzed Olefin Isomerization/Enantioselective Intramolecular Alder-Ene Reaction Cascade
  作者：Ryuichi Okamoto、Eri Okazaki、Keiichi Noguchi、Ken Tanaka

  DOI：10.1021/ol201986e

  日期：2011.9.16

  The olefin isomerization/enantioselective intramolecular Alder-ene reaction cascade was achieved by using a cationic rhodium(I)/(R)-BINAP complex as a catalyst. A variety of substituted dihydrobenzofurans and dihydronaphthofurans were obtained from phenol- or naphthol-linked 1,7-enynes, respectively, with good yields and ee values.