Ethyl 2-(dibenzylamino)-4,4,4-trifluoro-3-hydroxybutanoate

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: Ethyl 2-(dibenzylamino)-4,4,4-trifluoro-3-hydroxybutanoate
• 英文别名: ethyl 2-(dibenzylamino)-4,4,4-trifluoro-3-hydroxybutanoate
• 化学式: C₂₀H₂₂F₃NO₃
• 分子量: 381.395
• InChiKey: ZVXCRKMWRXBHQC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ethyl 2-(dibenzylamino)-4,4,4-trifluoro-3-hydroxybutanoate 在 palladium on activated charcoal 、 氢气 作用下， 反应 3.0h， 以90%的产率得到2-amino-4,4,4-trifluoro-3-hydroxy-butyric acid ethyl ester
  参考文献：
  名称：

  Fluoroalkyl substituted (Z)-dehydro α-amino ester as a building block for the fluorine-containing cyclopropyl α-amino esters and dihydrooxazole

  摘要：

  Multi-functionalized beta-trifluoromethyl and beta-difluoromethyl substituted (Z)-alpha,beta-dehydro alpha-amino esters have been successfully prepared from N-protected fluorinated threonine ester. Applications of this new fluorine-containing building block to the synthesis of biologically important fluorinated cylcopropyl alpha-amino esters and dihydrooxazole ester have also been reported. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2008.03.008
• 作为产物：
  描述：

  Ethyl 2-(dibenzylamino)-4,4,4-trifluoro-3-oxobutanoate 在 钾硼氢 作用下， 以 四氢呋喃 为溶剂， 生成 Ethyl 2-(dibenzylamino)-4,4,4-trifluoro-3-hydroxybutanoate
  参考文献：
  名称：

  Fluoroalkyl substituted (Z)-dehydro α-amino ester as a building block for the fluorine-containing cyclopropyl α-amino esters and dihydrooxazole

  摘要：

  Multi-functionalized beta-trifluoromethyl and beta-difluoromethyl substituted (Z)-alpha,beta-dehydro alpha-amino esters have been successfully prepared from N-protected fluorinated threonine ester. Applications of this new fluorine-containing building block to the synthesis of biologically important fluorinated cylcopropyl alpha-amino esters and dihydrooxazole ester have also been reported. (C) 2008 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jfluchem.2008.03.008