1,1,1-Trifluoro-2-[4-(methylamino)phenyl]propan-2-ol | 1380539-65-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 1,1,1-Trifluoro-2-[4-(methylamino)phenyl]propan-2-ol
• 英文别名: 1,1,1-trifluoro-2-[4-(methylamino)phenyl]propan-2-ol
• CAS: 1380539-65-0
• 化学式: C₁₀H₁₂F₃NO
• 分子量: 219.207
• InChiKey: OPAKULIOWUAARV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  32.3
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1,1,1-Trifluoro-2-[4-(methylamino)phenyl]propan-2-ol 、 苯磺酰氯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 生成 N-methyl-N-(4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl)benzenesulfonamide
  参考文献：
  名称：

  Discovery and optimization of benzenesulfonanilide derivatives as a novel class of 11β-HSD1 inhibitors

  摘要：

  A novel series of benzenesulfonanilide derivatives of 11 beta-HSD1 inhibitors were identified via modification of the sulfonamide core of the arylsulfonylpiperazine lead structures. The synthesis, in vitro biological evaluation, and structure-activity relationship of these compounds are presented. Optimization of this series rapidly resulted in the discovery of compounds (S)-10 and (S)-23 (11 beta-HSD1 SPA IC50 = 1.8 and 1.4 nM, respectively). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.005
• 作为产物：
  描述：

  2-(4-aminophenyl)-1,1,1-trifluoropropan-2-ol 在 sodium hydride 、 碳酸氢钠 、 三氟乙酸 作用下， 以 四氢呋喃 、 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 1,1,1-Trifluoro-2-[4-(methylamino)phenyl]propan-2-ol
  参考文献：
  名称：

  Discovery and optimization of benzenesulfonanilide derivatives as a novel class of 11β-HSD1 inhibitors

  摘要：

  A novel series of benzenesulfonanilide derivatives of 11 beta-HSD1 inhibitors were identified via modification of the sulfonamide core of the arylsulfonylpiperazine lead structures. The synthesis, in vitro biological evaluation, and structure-activity relationship of these compounds are presented. Optimization of this series rapidly resulted in the discovery of compounds (S)-10 and (S)-23 (11 beta-HSD1 SPA IC50 = 1.8 and 1.4 nM, respectively). (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.04.005

文献信息

• METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL
  申请人：Kanto Denka Kogyo Co., Ltd.

  公开号：EP3495341A1

  公开（公告）日：2019-06-12

  A simple production process is provided of a perfluoroalkyl compound that uses monohydroperfluoroalkane as a starting material, the perfluoroalkyl compound being an important intermediate of organic electronic materials, medicine, agricultural chemicals, functional polymer materials and the like. With monohydroperfluoroalkane is reacted a base and then a carbonyl compound to produce an alcohol having a perfluoroalkyl group. For example, potassium hydroxide is made to interact with trifluoromethane, and a reaction with a carbonyl compound is induced to produce an alcohol having a trifluoromethyl group.

  提供了一种以单氢全氟烷烃为起始原料的全氟烷基化合物的简单生产工艺，全氟烷基化合物是有机电子材料、医药、农药、功能聚合物材料等的重要中间体。将单氢全氟烷烃与碱反应，然后与羰基化合物反应，生成具有全氟烷基的醇。例如，氢氧化钾与三氟甲烷发生作用，然后与羰基化合物发生反应，生成具有三氟甲基的醇。
• Discovery and optimization of benzenesulfonanilide derivatives as a novel class of 11β-HSD1 inhibitors
  作者：Yosup Rew、Michael DeGraffenreid、Xiao He、Juan C. Jaen、Dustin L. McMinn、Daqing Sun、Hua Tu、Stefania Ursu、Jay P. Powers

  DOI：10.1016/j.bmcl.2012.04.005

  日期：2012.6

  A novel series of benzenesulfonanilide derivatives of 11 beta-HSD1 inhibitors were identified via modification of the sulfonamide core of the arylsulfonylpiperazine lead structures. The synthesis, in vitro biological evaluation, and structure-activity relationship of these compounds are presented. Optimization of this series rapidly resulted in the discovery of compounds (S)-10 and (S)-23 (11 beta-HSD1 SPA IC50 = 1.8 and 1.4 nM, respectively). (C) 2012 Elsevier Ltd. All rights reserved.