(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(1,1,2,2,2-pentafluoroethyl)-1-propenyl(4-methoxyphenyl)amine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(1,1,2,2,2-pentafluoroethyl)-1-propenyl(4-methoxyphenyl)amine
• 英文别名: N-[(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-4,4,5,5,5-pentafluoropent-2-en-3-yl]-4-methoxyaniline
• 化学式: C₁₅H₁₅F₅N₂O₂
• 分子量: 350.288
• InChiKey: XHIBEKVPSXJPRY-XFXZXTDPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  24
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  42.8
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(1,1,2,2,2-pentafluoroethyl)-1-propenyl(4-methoxyphenyl)amine 在 zinc(II) iodide 、 sodium tetrahydroborate 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以80%的产率得到1-[1-(4,5-dihydro-1,3-oxazol-2-yl)ethyl]-2.2.3.3.3-pentafluoropropyl(4-methoxyphenyl)amine
  参考文献：
  名称：

  Novel strategy for the synthesis of fluorinated β-amino acid derivatives from Δ2-oxazolines

  摘要：

  Racemic and chiral non-racemic beta -fluoroalkyl-beta -amino acid derivatives have been prepared in two steps starting from 2-alkyl-Delta (2)-oxazolines and fluorinated imidoyl chlorides. Subsequent chemoselective reduction of the C-masked beta -enamino acid derivatives initially formed provided the target beta -amino acids. The process takes place with total chemoselectivity, high yields and satisfactory diastereoselectivity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00539-7
• 作为产物：
  描述：

  2-乙基-2-唑啉 、 N-(p-methoxyphenyl)-2,2,3,3,3-pentafluoropropanoimidoyl chloride 在 lithium diisopropyl amide 作用下， 以 四氢呋喃 、 正己烷 为溶剂， 反应 2.0h， 以70%的产率得到(Z)-2-(4,5-dihydro-1,3-oxazol-2-yl)-1-(1,1,2,2,2-pentafluoroethyl)-1-propenyl(4-methoxyphenyl)amine
  参考文献：
  名称：

  Novel strategy for the synthesis of fluorinated β-amino acid derivatives from Δ2-oxazolines

  摘要：

  Racemic and chiral non-racemic beta -fluoroalkyl-beta -amino acid derivatives have been prepared in two steps starting from 2-alkyl-Delta (2)-oxazolines and fluorinated imidoyl chlorides. Subsequent chemoselective reduction of the C-masked beta -enamino acid derivatives initially formed provided the target beta -amino acids. The process takes place with total chemoselectivity, high yields and satisfactory diastereoselectivity. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(01)00539-7