7-Benzyloxy-3-ethyl-4-trifluoromethyl-hept-5-yn-3-ol

• 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: 7-Benzyloxy-3-ethyl-4-trifluoromethyl-hept-5-yn-3-ol
• 英文别名: 3-Ethyl-7-phenylmethoxy-4-(trifluoromethyl)hept-5-yn-3-ol
• 化学式: C₁₇H₂₁F₃O₂
• 分子量: 314.348
• InChiKey: AJAFRJMLYNTQED-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  22
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-戊酮 、 1-benzyloxy-5,5,5-trifluoropent-2-yn-4-yl methanesulfonate 在 四(三苯基膦)钯 、 diethylzinc 作用下， 以 二氯甲烷 为溶剂， 生成 4-Benzyloxymethyl-3-ethyl-7,7,7-trifluoro-hepta-4,5-dien-3-ol 、 7-Benzyloxy-3-ethyl-4-trifluoromethyl-hept-5-yn-3-ol
  参考文献：
  名称：

  Highly Stereocontrolled Synthesis of Trifluoromethylated Materials with Allylzincs and Allenylzincs Generated by Umpolung of Palladium Complexes

  摘要：

  The formation and chemical behaviors of trifluoromethylated allylzinc and allenylzinc reagents derived from the umpolung of allyl- or allenylpalladium complexes have been described. The reactions of these reagents with aldehydes proceeded smoothly to afford highly stereocontrolled gamma-(trifluoromethyl)-delta-hydroxy alpha,beta-unsaturated materials. Their configurations determined by the spectral data were anti, and Z-isomers were produced from the system of allylzinc reagents.

  DOI：

  10.1021/jo991086l

文献信息

• Highly Stereocontrolled Synthesis of Trifluoromethylated Materials with Allylzincs and Allenylzincs Generated by Umpolung of Palladium Complexes
  作者：Toru Sakamoto、Kiyoshi Takahashi、Takashi Yamazaki、Tomoya Kitazume

  DOI：10.1021/jo991086l

  日期：1999.12.1

  The formation and chemical behaviors of trifluoromethylated allylzinc and allenylzinc reagents derived from the umpolung of allyl- or allenylpalladium complexes have been described. The reactions of these reagents with aldehydes proceeded smoothly to afford highly stereocontrolled gamma-(trifluoromethyl)-delta-hydroxy alpha,beta-unsaturated materials. Their configurations determined by the spectral data were anti, and Z-isomers were produced from the system of allylzinc reagents.