2-phenoxy-N-[4-(2,2,2-trifluoro-1-hydroxy-ethyl)-phenyl]-acetamide | 932036-97-0

• 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-phenoxy-N-[4-(2,2,2-trifluoro-1-hydroxy-ethyl)-phenyl]-acetamide
• CAS: 932036-97-0
• 化学式: C₁₆H₁₄F₃NO₃
• 分子量: 325.287
• InChiKey: ZBIUJZLAUUFTDP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  58.56
• 氢给体数：
  2.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  2-phenoxy-N-[4-(2,2,2-trifluoro-1-hydroxy-ethyl)-phenyl]-acetamide 在 sodium hydride 、 戴斯-马丁氧化剂 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N-methyl-2-phenoxy-N-(4-(2,2,2-trifluoroacetyl)phenyl)acetamide
  参考文献：
  名称：

  Novel trifluoroacetophenone derivatives as malonyl-CoA decarboxylase inhibitors

  摘要：

  A series of trifluoroacetophenone derivatives were prepared and evaluated as malonyl-CoA decarboxylase (MCD) inhibitors. Some of the 'reverse amide' analogs were found to be potent inhibitors of MCD enzyme activity. The trifluoroacetyl group may interact with the MCD active site as the hydrate in a similar fashion to the hexafluoroisopropanol analogs reported previously. Adding electron-withdrawing groups to the phenyl ring stabilizes the hydrated species and enhances this interaction. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.023
• 作为产物：
  描述：

  对硝基苯甲酸甲酯 在 sodium tetrahydroborate 、 四丁基氟化铵 、 铁粉 、 溶剂黄146 、 二乙胺 作用下， 以 甲醇 、 乙醇 、 二氯甲烷 为溶剂， 生成 2-phenoxy-N-[4-(2,2,2-trifluoro-1-hydroxy-ethyl)-phenyl]-acetamide
  参考文献：
  名称：

  Novel trifluoroacetophenone derivatives as malonyl-CoA decarboxylase inhibitors

  摘要：

  A series of trifluoroacetophenone derivatives were prepared and evaluated as malonyl-CoA decarboxylase (MCD) inhibitors. Some of the 'reverse amide' analogs were found to be potent inhibitors of MCD enzyme activity. The trifluoroacetyl group may interact with the MCD active site as the hydrate in a similar fashion to the hexafluoroisopropanol analogs reported previously. Adding electron-withdrawing groups to the phenyl ring stabilizes the hydrated species and enhances this interaction. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2006.09.023