ethyl 2-(4-(2-((1R,2S)-1-(4-hydroxyphenyl)-1-hydroxyprop-2-ylamino)ethyl)-2,5-dimethylphenoxy)acetate | 255733-81-4

• 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: ethyl 2-(4-(2-((1R,2S)-1-(4-hydroxyphenyl)-1-hydroxyprop-2-ylamino)ethyl)-2,5-dimethylphenoxy)acetate
• 英文别名: ritobegron；KUC-7322；ethyl (-)-2-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-2,5-dimethylphenoxy]acetate hydrochloride；(-)-ethyl-2-[4-(2-{[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]-amino}-ethyl)-2,5-dimethylphenyloxy]acetate；hydrochloride of ethyl (-)-2-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]amino]ethyl]-2,5-dimethylphenoxy]acetate；ethyl (-)-2-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxy-phenyl)-1-methylethyl]amino]ethyl]-2,5-dimethylphenoxy]-acetate；ethyl (-)-2-[4-[2-[[(1S,2R)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyethyl]amino]ethyl]-2,5-dimethylphenoxy] acetate；Ritobegron ethyl；ethyl 2-[4-[2-[[(1R,2S)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]amino]ethyl]-2,5-dimethylphenoxy]acetate
• CAS: 255733-81-4
• 化学式: C₂₃H₃₁NO₅
• 分子量: 401.503
• InChiKey: SLXOKVKOBXCWCK-SBUREZEXSA-N

物化性质

• 沸点：
  575.2±45.0 °C(Predicted)
• 密度：
  1.154±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  11
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  88
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  ethyl 2-(4-(2-((1R,2S)-1-(4-hydroxyphenyl)-1-hydroxyprop-2-ylamino)ethyl)-2,5-dimethylphenoxy)acetate 在 盐酸 作用下， 以 乙醇 、 甲苯 为溶剂， 生成 化合物 T34333
  参考文献：
  名称：

  EP1535897

  摘要：

  公开号：
• 作为产物：
  描述：

  2-[4-(2-bromoethyl)-2,5-dimethylphenoxy]acetic acid ethyl ester 、 4-((1R,2S)-2-amino-1-hydroxypropyl)phenol 在 二异丙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 1.5h， 生成 ethyl 2-(4-(2-((1R,2S)-1-(4-hydroxyphenyl)-1-hydroxyprop-2-ylamino)ethyl)-2,5-dimethylphenoxy)acetate
  参考文献：
  名称：

  CRYSTALS OF HYDROXYNOREPHEDRINE DERIVATIVE

  摘要：

  公开号：

  EP1426355B1

文献信息

• Synthesis of phenoxyacetic acid derivatives
  申请人：Winter Eric

  公开号：US20070088174A1

  公开（公告）日：2007-04-19

  The present invention relates to an improved process for the preparation of substituted 2-(4-carbonylmethoxy-optionally 2,5-disubstituted-phenyl)-acetaldehydes, in particular 2-(4-alkoxycarbonylmethoxy-optionally 2,5-disubstituted-phenyl)-acetaldehydes and their use in the synthesis of optionally substituted 2-[4-[2-[[-2-hydroxy-2-(4-hydroxyphenyl)-1-methylethyl]-amino]ethyl]-optionally 2,5-disubstituted-phenoxy]acetic acid derivatives or the salts thereof, which may be used as pharmaceutically active substances.

  本发明涉及一种改进的方法，用于制备取代的2-(4-羰基甲氧基-可选地2,5-二取代苯基)-乙醛，特别是2-(4-烷氧羰基甲氧基-可选地2,5-二取代苯基)-乙醛及其在合成可选地取代的2-[4-[2-[[-2-羟基-2-(4-羟基苯基)-1-甲基乙基]-氨基]乙基]-可选地2,5-二取代苯氧基]乙酸衍生物或其盐中的用途，这些衍生物可用作药用活性物质。
• INTERMEDIATES IN PRODUCING PHENOXYACETIC ACID DERIVATIVES AND METHOD OF USING THE SAME
  申请人：Tanaka Nobuyuki

  公开号：US20080045741A1

  公开（公告）日：2008-02-21

  The present invention provides novel intermediates represented by general formula (I) etc. for preparing a phenoxyacetic acid derivative represented by general formula (X) or a pharmaceutically acceptable salt thereof, which has β3-adrenoceptor stimulating activity and are useful for treating or preventing obesity, hyperglycemia, diseases caused by intestinal hypermotility, pollakiuria, urinary incontinence, depression or biliary calculus. The present invention also provides a process for preparing said intermediates and a method of using said intermediates.

  本发明提供了一种新型中间体，其通式为（I），用于制备通式为（X）的苯氧乙酸衍生物或其药学上可接受的盐，该衍生物具有β3-肾上腺素能受体刺激活性，可用于治疗或预防肥胖症、高血糖、肠道过动症引起的疾病、频尿、尿失禁、抑郁症或胆结石。本发明还提供了制备所述中间体的方法和使用所述中间体的方法。
• INTERMEDIATES IN PRODUCING PHENOXYACETIC ACID PREVENTIVES AND METHOD OF USING THE SAME
  申请人：TANAKA Nobuyuki

  公开号：US20080045740A1

  公开（公告）日：2008-02-21

  The present invention provides novel intermediates represented by general formula (I) etc. for preparing a phenoxyacetic acid derivative represented by general formula (X) or a pharmaceutically acceptable salt thereof, which has β3-adrenoceptor stimulating activity and are useful for treating or preventing obesity, hyperglycemia, diseases caused by intestinal hypermotility, pollakiuria, urinary incontinence, depression or biliary calculus. The present invention also provides a process for preparing said intermediates and a method of using said intermediates.

  本发明提供了新型中间体，其通式表示为（I）等，用于制备通式表示为（X）的苯氧乙酸衍生物或其药学上可接受的盐，该衍生物具有β3-肾上腺素能受体激动活性，并且可用于治疗或预防肥胖症、高血糖症、肠道过动症引起的疾病、尿频、尿失禁、抑郁症或胆石症。本发明还提供了制备所述中间体的方法和使用所述中间体的方法。
• SYNTHESIS OF PHENOXYACETIC ACID DERIVATIVES
  申请人：Winter Eric

  公开号：US20090247781A1

  公开（公告）日：2009-10-01

  The present invention relates to an improved process for the preparation of substituted 2-(4-carbonylmethoxy-optionally 2,5-disubstituted-phenyl-acetaldehydes, in particular 2-(4-alkoxycarbonylmethoxy-optionally 2,5-disubstituted-phenyl)-acetaldehydes and their use in the synthesis of optionally substituted 2-[4-[2-[[-2-hydroxy-2-(4-hydroxyphenyl)- 1 -methylethyl]-amino]ethyl]-optionally 2,5-disubstituted-phenoxy]acetic acid derivatives or the salts thereof, which may be used as pharmaceutically active substances.

  本发明涉及一种改进的方法，用于制备取代的2-(4-羰基甲氧基-可选2,5-二取代苯基)-乙醛，特别是2-(4-烷氧羰基甲氧基-可选2,5-二取代苯基)-乙醛及其在合成可选取代的2-[4-[2-[[-2-羟基-2-(4-羟基苯基)-1-甲基乙基]-氨基]乙基]-可选2,5-二取代苯氧基]乙酸衍生物或其盐中的应用，这些衍生物可以用作药物活性物质。
• Intermediates in producing phenoxyacetic acid derivatives and method of using the same
  申请人：Kissei Pharmaceutical Co., Ltd.

  公开号：US07393968B2

  公开（公告）日：2008-07-01

  The present invention provides novel intermediates represented by general formula (I) etc. for preparing a phenoxyacetic acid derivative represented by general formula (X) or a pharmaceutically acceptable salt thereof, which has β3-adrenoceptor stimulating activity and are useful for treating or preventing obesity, hyperglycemia, diseases caused by intestinal hypermotility, pollakiuria, urinary incontinence, depression or biliary calculus. The present invention also provides a process for preparing said intermediates and a method of using said intermediates

  本发明提供了一种新的中间体，其由一般式(I)等表示，用于制备一种具有β3-肾上腺素受体刺激活性的苯氧乙酸衍生物，或其药学上可接受的盐，该衍生物对于治疗或预防肥胖症、高血糖症、肠道过度运动引起的疾病、尿频、尿失禁、抑郁症或胆石症等疾病有用。本发明还提供了制备所述中间体的方法和使用所述中间体的方法。