4-(2',2',2'-Trifluoroethoxy)benzamide | 50778-60-4

• 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: 4-(2',2',2'-Trifluoroethoxy)benzamide
• 英文别名: 4-(2,2,2-trifluoroethoxy)benzamide
• CAS: 50778-60-4
• 化学式: C₉H₈F₃NO₂
• mdl: MFCD24390445
• 分子量: 219.163
• InChiKey: GMIWHLMAWWOPDZ-UHFFFAOYSA-N

物化性质

• 熔点：
  164-166 °C(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  288.1±40.0 °C(Predicted)
• 密度：
  1.327±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  15
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  4-(2',2',2'-Trifluoroethoxy)benzamide 在 盐酸 、 sodium hydroxide 、 水 、 碘 、 一水合肼 、 potassium iodide 作用下， 以 乙醇 为溶剂， 反应 3.5h， 生成 2-Amino-5-<4-(2',2',2'-trifluoroethoxy)phenyl>-1,3,4-oxadiazole
  参考文献：
  名称：

  Syntheses and characterization of 2-amino-5-aryl-1,3,4-oxadiazoles containing trifluoroethoxy groups

  摘要：

  In order to develop an effective synthetic route to 2-amino-5-aryl-1,3,4-oxadiazoles containing trifluoroethoxy groups, a novel intermediate 2-amino-5-[4-(2',2',2'-trifluoroethoxy)-phenyl]-1,3,4-oxadiazole was prepared and its structure was confirmed by mass spectrometry and (HNMR)-H-1 spectroscopy. The chlorine atom was not substituted by trifluoroethoxy groups, when syntheses of the intermediate by direct trifluoroethoxylation of 2-amino-5-(4-chlorophenyl)-1,3,4-oxadiazole was tried. The resulting product was characterized as N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide. A possible reaction mechanism is suggested. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(98)00269-3
• 作为产物：
  描述：

  对硝基苯甲腈 在 sodium hydroxide 、 双氧水 、 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 4-(2',2',2'-Trifluoroethoxy)benzamide
  参考文献：
  名称：

  Syntheses and characterization of 2-amino-5-aryl-1,3,4-oxadiazoles containing trifluoroethoxy groups

  摘要：

  In order to develop an effective synthetic route to 2-amino-5-aryl-1,3,4-oxadiazoles containing trifluoroethoxy groups, a novel intermediate 2-amino-5-[4-(2',2',2'-trifluoroethoxy)-phenyl]-1,3,4-oxadiazole was prepared and its structure was confirmed by mass spectrometry and (HNMR)-H-1 spectroscopy. The chlorine atom was not substituted by trifluoroethoxy groups, when syntheses of the intermediate by direct trifluoroethoxylation of 2-amino-5-(4-chlorophenyl)-1,3,4-oxadiazole was tried. The resulting product was characterized as N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-chlorobenzamide. A possible reaction mechanism is suggested. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(98)00269-3

文献信息

• NEW HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES
  申请人：Ackermann Jean

  公开号：US20110065707A1

  公开（公告）日：2011-03-17

  The present invention relates to compounds of formula (I) as well as pharmaceutically acceptable salts thereof, wherein A 1 , A 2 , R 1 , R 2 , R 3 , R 4 , R 5 and R 6 have the significance given herein.

  本发明涉及式(I)的化合物以及其药学上可接受的盐，其中A1、A2、R1、R2、R3、R4、R5和R6具有本文中给出的含义。
• [EN] HSL INHIBITORS USEFUL IN THE TREATMENT OF DIABETES<br/>[FR] INHIBITEURS DE HSL UTILES DANS LE TRAITEMENT DU DIABÈTE
  申请人：HOFFMANN LA ROCHE

  公开号：WO2011029808A1

  公开（公告）日：2011-03-17

  Compounds of formula (I), as well as pharmaceutically acceptable salts thereof can be used in the form of pharmaceutical compositions, wherein A1, A2, R1,R2 R3,R4 R5 and R6 have the significance given in claim 1. Objects of the present invention are the compounds of formula (I) and their aforementioned salts and esters and their use as therapeutically active substances, a process for the manufacture of the said compounds, intermediates, pharmaceutical compositions, medicaments containing the said compounds, their pharmaceutically acceptable salts or esters, the use of the said compounds, salts or esters for the treatment or prophylaxis of illnesses, especially in the treatment or prophylaxis of diabetes, metabolic syndrome, dyslipidemia, atherosclerosis or obesity and the use of the said compounds, salts or esters for the production of medicaments for the treatment or prophylaxis of diabetes, metabolic syndrome, dyslipidemia, atherosclerosis or obesity.

  化合物的化学式（I），以及其药学上可接受的盐可以用作药物组合物的形式，其中A1，A2，R1，R2，R3，R4，R5和R6具有权利要求1中给定的含义。本发明的目的是化学式（I）的化合物及其上述的盐和酯，以及它们作为治疗活性物质的用途，制造所述化合物的方法，中间体，含有所述化合物的药物组合物，含有所述化合物、其药学上可接受的盐或酯的药物，所述化合物、盐或酯的用途用于治疗或预防疾病，特别是用于治疗或预防糖尿病、代谢综合征、血脂异常、动脉粥样硬化或肥胖症，以及所述化合物、盐或酯的用途用于生产用于治疗或预防糖尿病、代谢综合征、血脂异常、动脉粥样硬化或肥胖症的药物。
• NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS
  申请人：Conte Aurelia

  公开号：US20120289549A1

  公开（公告）日：2012-11-15

  The invention provides novel compounds having the general formula (I), wherein R 1 , R 2 , R 3 and A are as described herein, compositions including the compounds and methods of using the compounds. These compounds are useful as inhibitors of hormone sensitive lipase (HSL) and may be used in the treatment of diabetes, metabolic syndrome, dyslipidemia, atherosclerosis, obesity, cardiovascular diseases, myocardial dysfunction, inflammation, non-alcoholic fatty liver disease and non-alcoholic steatohepatitis.

  这项发明提供了具有一般式（I）的新化合物，其中R1、R2、R3和A如本文所述，包括这些化合物的组合物以及使用这些化合物的方法。这些化合物可用作激素敏感性脂肪酶（HSL）的抑制剂，并可用于治疗糖尿病、代谢综合征、血脂异常、动脉粥样硬化、肥胖、心血管疾病、心肌功能障碍、炎症、非酒精性脂肪肝病和非酒精性脂肪性肝炎。
• [EN] NEW HEXAHYDROPYRROLOIMIDAZOLONE COMPOUNDS<br/>[FR] NOUVEAUX COMPOSÉS HEXAHYDROPYRROLOIMIDAZOLONES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2012152663A1

  公开（公告）日：2012-11-15

  The invention provides novel compounds having the general formula (I) wherein R1, R2, R3 and A are as described herein, compositions including the compounds and methods of using the compounds.

  这项发明提供了具有一般式（I）的新化合物，其中R1、R2、R3和A如本文所述，包括这些化合物的组合物和使用这些化合物的方法。
• Polyfluoroalkoxy-substituted aromatic carboxylic amides and hydrozides
  申请人：Riker Laboratories, Inc.

  公开号：US03996280A1

  公开（公告）日：1976-12-07

  Acyl halides, esters, amides, hydrazides and salts as well as the acid form derived from aromatic acids substituted by polyfluoroalkoxy groups. These compounds are valuable as synthetic intermediates in the preparation of physiologically active compounds.

  酰卤、酯、酰胺、肼和盐，以及由芳香酸取代的多氟烷氧基团衍生的酸形式。这些化合物在制备生理活性化合物的合成中间体中具有重要价值。