3,5-bis(tri-fluoromethyl)benzyl ether | 189446-57-9

• 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: 3,5-bis(tri-fluoromethyl)benzyl ether
• 英文别名: 3,5-bis(trifluoromethyl)benzyl ether；1,1'-[Oxybis(methylene)]bis[3,5-bis(trifluoromethyl)benzene]；1-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-3,5-bis(trifluoromethyl)benzene
• CAS: 189446-57-9
• 化学式: C₁₈H₁₀F₁₂O
• 分子量: 470.258
• InChiKey: XULZVOCPCPJDOI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.6
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  13

反应信息

• 作为产物：
  描述：

  3,5-双三氟甲基苄醇 在 2,4,6-三甲基吡啶 、 三氟甲磺酸酐 作用下， 以 正己烷 为溶剂， 反应 1.5h， 生成 3,5-bis(trifluoromethyl)benzyl trifluoromethanesulfonate 、 3,5-bis(tri-fluoromethyl)benzyl ether
  参考文献：
  名称：

  Stereoselective synthesis of 2-(S)-(3,5-bis(trifluoromethyl)benzyloxy)-3-(S)-phenyl-1,4-oxazine

  摘要：

  A convenient process for the preparation of the secondary amine 6, 2-(S)-(3,5-bis(trifluoromethyl)benzyloxy)-3-(S)-phenyl-1,4-oxazine, is described starting from the readily available (S)-phenylglycine 1. The process features efficient construction of the homochiral oxazinone intermediate 3 and stereoselective introduction of the 2-(3,5-bis(trifluoromethyl)-benzyloxy) group by L-Selectride reduction followed by in situ alkylation with the highly reactive 3,5-bis(trifluoromethyl)-benzyl triflate 4. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(97)00058-x

文献信息

• Stereoselective synthesis of 2-(S)-(3,5-bis(trifluoromethyl)benzyloxy)-3-(S)-phenyl-1,4-oxazine
  作者：Michael S. Ashwood、Ian F. Cottrell、Antony J. Davies

  DOI：10.1016/s0957-4166(97)00058-x

  日期：1997.3

  A convenient process for the preparation of the secondary amine 6, 2-(S)-(3,5-bis(trifluoromethyl)benzyloxy)-3-(S)-phenyl-1,4-oxazine, is described starting from the readily available (S)-phenylglycine 1. The process features efficient construction of the homochiral oxazinone intermediate 3 and stereoselective introduction of the 2-(3,5-bis(trifluoromethyl)-benzyloxy) group by L-Selectride reduction followed by in situ alkylation with the highly reactive 3,5-bis(trifluoromethyl)-benzyl triflate 4. (C) 1997 Elsevier Science Ltd.