2-(2,3,4,5-Tetrafluorophenyl)acetaldehyde | 111991-21-0

• 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: 2-(2,3,4,5-Tetrafluorophenyl)acetaldehyde
• CAS: 111991-21-0
• 化学式: C₈H₄F₄O
• mdl: MFCD11553630
• 分子量: 192.11
• InChiKey: UTAGXECYEFGYFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Process for producing optically active 1-(fluoro- or trifluoromethyl-substituted phenyl) ethylamine and process for purifying same
  申请人：——

  公开号：US20020103400A1

  公开（公告）日：2002-08-01

  An optically active 1-(fluoro- or trifluoromethyl-substituted phenyl)ethylamine is produced with high optical purity and in an industrially simple and efficient manner by asymmetrically reducing an optically active imine, obtained by dehydration and condensation of a fluoro- or trifluoromethyl-substituted phenylmethyl ketone and an optically active primary amine under acidic conditions, using a hydride reducing agent to convert to an optically active secondary amine, and subjecting the secondary amine or its salt of an inorganic acid or organic acid to hydrogenolysis. In addition, an optically active 1-(fluoro- or trifluoromethyl-substituted phenyl)ethylamine is purified to an even higher optical purity in an industrially simple and efficient manner by converting the optically active secondary amine of the synthetic intermediate obtained by asymmetric reduction, or an optically active 1-(3,5-bis-trifluoromethylphenyl)ethylamine, one of the target compounds, to an inorganic or organic acid salt followed by recrystallization purification. This ethylamine is an important intermediate of pharmaceuticals and agricultural chemicals.

  一种光学活性的 1-(氟或三氟甲基取代苯基)乙胺是通过不对称还原光学活性亚胺，以高光学纯度和简单高效的工业方法制得的、在酸性条件下，通过氟或三氟甲基取代的苯基甲基酮和光学活性伯胺的脱水和缩合，使用氢化物还原剂转化为光学活性仲胺，再将仲胺或其无机酸或有机酸盐进行氢解。此外，通过不对称还原得到的合成中间体的光学活性仲胺或光学活性 1-(3,5-双三氟甲基苯基)乙胺（目标化合物之一）转化为无机酸或有机酸盐，然后进行重结晶纯化，可以以工业上简单高效的方式将光学活性 1-(氟或三氟甲基取代苯基)乙胺纯化到更高的光学纯度。这种乙胺是一种重要的医药和农药中间体。
• US6797842B2
  申请人：——

  公开号：US6797842B2

  公开（公告）日：2004-09-28