methyl 4-{[(2S)-2-hydroxypropyl]oxy}-2-(trifluoromethyl)benzoate | 790695-54-4

• 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: methyl 4-{[(2S)-2-hydroxypropyl]oxy}-2-(trifluoromethyl)benzoate
• 英文别名: methyl 4-[(2S)-2-hydroxypropoxy]-2-(trifluoromethyl)benzoate
• CAS: 790695-54-4
• 化学式: C₁₂H₁₃F₃O₄
• 分子量: 278.228
• InChiKey: LXGADNRGIAYYDZ-ZETCQYMHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  methyl 4-{[(2S)-2-hydroxypropyl]oxy}-2-(trifluoromethyl)benzoate 在 二乙胺基三氟化硫 作用下， 以 二氯甲烷 为溶剂， 反应 21.25h， 以75.4%的产率得到4-{[(2R)-2-fluoropropyl]oxy}-2-(trifluoromethyl)benzoic acid
  参考文献：
  名称：

  METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF

  摘要：

  公开号：

  EP2860175B1
• 作为产物：
  描述：

  4-羟基-2-(三氟甲基)苯甲酸甲酯 在 palladium 10% on activated carbon 、 ammonium formate 、 potassium carbonate 、 cesium fluoride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 18.25h， 生成 methyl 4-{[(2S)-2-hydroxypropyl]oxy}-2-(trifluoromethyl)benzoate
  参考文献：
  名称：

  METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF

  摘要：

  公开号：

  EP2860175B1

文献信息

• 4,4-difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivative or salt thereof
  申请人：Koshio Hiroyuki

  公开号：US20060122170A1

  公开（公告）日：2006-06-08

  A novel 4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivative or a pharmaceutically acceptable salt thereof, which is useful as an agent for treating or preventing nocturia and/or diabetes insipidus, is provided.

  提供一种新型的4,4-二氟-1,2,3,4-四氢-5H-1-苯并嗪衍生物或其药学上可接受的盐，该衍生物可用作治疗或预防夜尿症和/或尿崩症的药物。
• 4,4-Difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivative or salt thereof
  申请人：Koshio Hiroyuki

  公开号：US20070167429A1

  公开（公告）日：2007-07-19

  A novel 4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivative or a pharmaceutically acceptable salt thereof, which is useful as an agent for treating or preventing nocturia and/or diabetes insipidus, is provided.

  提供了一种新型的4,4-二氟-1,2,3,4-四氢-5H-1-苯并氮杂环衍生物或其药学上可接受的盐，该衍生物在治疗或预防夜尿症和/或尿崩症方面有用。
• METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD
  申请人：ASTELLAS PHARMA INC.

  公开号：US20150141641A1

  公开（公告）日：2015-05-21

  The present invention provides a method for producing a 4,4,7-trifluoro-1,2,3,4-tetrahydro-5H-1-benzazepine compound which has an superior agonistic activity to an arginine vasopressin V2 receptor and is useful as an active ingredient for a pharmaceutical composition for preventing and/or treating urinary frequency, urinary incontinence, enuresis, central diabetes insipidus, nocturia, nocturnal enuresis, or the like; and useful intermediates for use in the methods. The production method of the present invention is suitable for the industrial production of a medicament, because of a smaller number of steps, a higher yield, and a lower cost, as compared with the methods in the related art.

  本发明提供了一种生产4,4,7-三氟-1,2,3,4-四氢-5H-1-苯并氮杂环化合物的方法，该化合物具有对精氨酸加压素V2受体的优良激动活性，并且可用作预防和/或治疗尿频、尿失禁、遗尿、中枢性尿崩症、夜尿症、夜间遗尿或类似疾病的制药组合物的活性成分；以及用于该方法的有用中间体。与相关技术中的方法相比，本发明的生产方法步骤更少、收率更高、成本更低，适用于药物的工业生产。
• 4,4-DIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE DERIVATIVE OR SALT THEREOF
  申请人：Astellas Pharma Inc.

  公开号：EP1619185B1

  公开（公告）日：2011-06-15
• METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TATRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD
  申请人：TACURION

  公开号：US20170158639A1

  公开（公告）日：2017-06-08

  The present invention provides a method for producing a 4,4,7-trifluoro-1,2,3,4-tetrahydro-5H-1-benzazepine compound which has an superior agonistic activity to an arginine vasopressin V2 receptor and is useful as an active ingredient for a pharmaceutical composition for preventing and/or treating urinary frequency, urinary incontinence, enuresis, central diabetes insipidus, nocturia, nocturnal enuresis, or the like; and useful intermediates for use in the methods. The production method of the present invention is suitable for the industrial production of a medicament, because of a smaller number of steps, a higher yield, and a lower cost, as compared with the methods in the related art.