N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-(phenylmethylaminomethyl)propyl)benzamide | 1034141-47-3

• 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: N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-(phenylmethylaminomethyl)propyl)benzamide
• 英文别名: N-Ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-{[(phenylmethyl)amino]methyl}propyl)benzamide；N-[2-[(benzylamino)methyl]-3,3,3-trifluoro-2-hydroxypropyl]-N-ethylbenzamide
• CAS: 1034141-47-3
• 化学式: C₂₀H₂₃F₃N₂O₂
• 分子量: 380.41
• InChiKey: DKMYKTJMXIJYRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  27
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  52.6
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-(phenylmethylaminomethyl)propyl)benzamide 在 盐酸 、 氢气 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 25.0~40.0 ℃ 、6.0 MPa 条件下， 生成 N-(2-aminomethyl-3,3,3-trifluoro-2-hydroxypropyl)-N-ethylbenzamide hydrochloride
  参考文献：
  名称：

  WO2008/74814

  摘要：

  公开号：
• 作为产物：
  描述：

  、 苄胺 反应 24.0h， 生成 N-ethyl-N-(3,3,3-trifluoro-2-hydroxy-2-(phenylmethylaminomethyl)propyl)benzamide
  参考文献：
  名称：

  Efficient synthesis of an α-trifluoromethyl-α-tosyloxymethyl epoxide enabling stepwise double functionalisation to afford CF3-substituted tertiary alcohols

  摘要：

  The efficient synthesis of an alpha-trifluoromethyl-alpha-tosyloxymethyl epoxide is reported. This highly versatile building block may be reacted sequentially with two different nucleophiles to furnish alpha-trifluoromethyl tertiary alcohols. Furthermore, the two enantiomers of this key intermediate have been separated using chiral HPLC and the stereochemistry shown to be conserved during subsequent chemical manipulations. Finally, an enzyme-driven desymmetrisation approach has been successfully employed to confer chirality on an intermediate in the sequence. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2008.06.011

文献信息

• PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS
  申请人：Campbell Ian Baxter

  公开号：US20100035926A1

  公开（公告）日：2010-02-11

  The present invention provides compounds of formula (I): a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates, and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation.

  本发明提供式(I)的化合物，它们的制备方法，包含这些化合物的制药组合物以及制备这些组合物的方法，中间体，以及将这些化合物用于制造治疗药物，特别是用于治疗炎症的药物。
• [EN] PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS<br/>[FR] DÉRIVÉS DE PYRAZOLE EN TANT QUE LIGANDS DES RÉCEPTEURS DES GLUCOCORTICOÏDES NON STÉROÏDIENS
  申请人：GLAXO GROUP LTD

  公开号：WO2008074814A1

  公开（公告）日：2008-06-26

  [EN] The present invention provides compounds of formula (I), a process for their preparation, to pharmaceutical compositions comprising the compounds and the preparation of said compositions, to intermediates, and to use of the compounds for the manufacture of a medicament for therapeutic treatment, particularly for the treatment of inflammation.
  [FR] La présente invention concerne des composés de formule (I), leur procédé de préparation, des compositions pharmaceutiques comprenant les composés, la préparation desdites compositions, les intermédiaires et l'utilisation des composés dans la fabrication d'un médicament destiné à un traitement thérapeutique, en particulier destiné au traitement de l'inflammation.
• Efficient synthesis of an α-trifluoromethyl-α-tosyloxymethyl epoxide enabling stepwise double functionalisation to afford CF3-substituted tertiary alcohols
  作者：Steven P. Keeling、Ian B. Campbell、Diane M. Coe、Tony W.J. Cooper、George W. Hardy、Torquil I. Jack、Haydn T. Jones、Deborah Needham、Tracy J. Shipley、Philip A. Skone、Peter W. Sutton、Gordon A. Weingarten、Simon J.F. Macdonald

  DOI：10.1016/j.tetlet.2008.06.011

  日期：2008.8

  The efficient synthesis of an alpha-trifluoromethyl-alpha-tosyloxymethyl epoxide is reported. This highly versatile building block may be reacted sequentially with two different nucleophiles to furnish alpha-trifluoromethyl tertiary alcohols. Furthermore, the two enantiomers of this key intermediate have been separated using chiral HPLC and the stereochemistry shown to be conserved during subsequent chemical manipulations. Finally, an enzyme-driven desymmetrisation approach has been successfully employed to confer chirality on an intermediate in the sequence. (c) 2008 Elsevier Ltd. All rights reserved.
• WO2008/74814
  申请人：——

  公开号：——

  公开（公告）日：——