(R)-2-methyl-3-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)propane-1,2-diol p-toluenesulfonic acid salt | 1318735-09-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (R)-2-methyl-3-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)propane-1,2-diol p-toluenesulfonic acid salt
• 英文别名: 4-methylbenzenesulfonic acid;(2R)-2-methyl-3-[4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenoxy]propane-1,2-diol
• CAS: 1318735-09-9
• 化学式: C₇H₈O₃S*C₂₂H₂₆F₃NO₅
• 分子量: 613.652
• InChiKey: JVSOKRDJWRCQNF-ZMBIFBSDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.0
• 重原子数：
  42
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  134
• 氢给体数：
  3
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  (R)-2-methyl-3-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)propane-1,2-diol p-toluenesulfonic acid salt 在 甲基磺酰氯 、 三乙胺 、 sodium hydroxide 作用下， 以 水 为溶剂， 反应 1.67h， 生成 (R)-1-(4-((2-methyloxiran-2-yl)-methoxy)phenyl)-4-(4-(trifluoro-methoxy)phenoxy)piperidine
  参考文献：
  名称：

  METHOD FOR PRODUCING 1-(4-HYDROXYPHENYL)-4-(4-TRIFLUOROMETHOXYPHENOXY)PIPERIDINE OR SALT THEREOF

  摘要：

  本发明提供了一种生产1-(4-羟基苯基)-4-(4-三氟甲氧基苯氧基)哌啶或其盐的方法，包括加热氢醌和4-(4-三氟甲氧基苯氧基)哌啶的步骤。该方法可以以工业优势的方式生产1-(4-羟基苯基)-4-(4-三氟甲氧基苯氧基)哌啶或其盐。

  公开号：

  US20180065931A1
• 作为产物：
  描述：

  (R)-3-(4-bromophenoxy)-2-methylpropane-1,2-diol 在 tris-(dibenzylideneacetone)dipalladium(0) 、 2-二叔丁基磷-2-(N,N-二甲氨基)联苯 三正丁胺 、 potassium hydroxide 作用下， 以 异丙醇 、 xylene 为溶剂， 反应 21.0h， 生成 (R)-2-methyl-3-(4-{4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl}phenoxy)propane-1,2-diol p-toluenesulfonic acid salt
  参考文献：
  名称：

  [EN] SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME
  [FR] INTERMÉDIAIRE SYNTHÉTIQUE D'UN COMPOSÉ OXAZOLE ET PROCÉDÉ DE PRODUCTION ASSOCIÉ

  摘要：

  本发明的目的是提供一种高产率生产噁唑化合物的方法。该目的可以通过由式（11）表示的化合物实现：其中R1是氢原子或较低的烷基基团；R2是在4-位被取代的1-哌啶基团，所述取代基选自（A1a）苯氧基在苯基上取代一个或多个卤素取代的较低烷氧基团，（A1b）苯氧基取代的较低烷基基团在苯基上取代一个或多个卤素取代的较低烷基基团，（A1c）苯基取代的较低烷氧基较低烷基基团在苯基上取代卤素，（A1d）苯基取代的较低烷基基团在苯基上取代一个或多个卤素取代的较低烷氧基团，（A1e）氨基取代的苯基取代一个或多个卤素取代的较低烷氧基团和较低烷基基团，以及（A1f）苯基取代的较低烷氧基团在苯基上取代一个或多个卤素取代的较低烷氧基团；n是1到6之间的整数；X3是有机磺酰氧基团。

  公开号：

  WO2011093529A1

文献信息

• SYNTHETIC INTERMEDIATE OF OXAZOLE COMPOUND AND METHOD FOR PRODUCING THE SAME
  申请人：Yamamoto Akihiro

  公开号：US20120302757A1

  公开（公告）日：2012-11-29

  An object of the present invention is to provide a method for producing an oxazole compound in a high yield. The object can be achieved by a compound represented by Formula (11): wherein R 1 is a hydrogen atom or lower-alkyl group; R 2 is a 1-piperidyl group substituted at the 4-position with a substituent selected from (A1a) a phenoxy group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups, (A1b) a phenoxy-substituted lower-alkyl group substituted on the phenyl moiety with one or more halogen-substituted lower-alkyl groups, (A1c) a phenyl-substituted lower-alkoxy lower-alkyl group substituted on the phenyl moiety with halogen, (A1d) a phenyl-substituted lower-alkyl group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups, (A1e) an amino group substituted with a phenyl group substituted with one or more halogen-substituted lower-alkoxy groups, and a lower-alkyl group, and (A1f) a phenyl-substituted lower-alkoxy group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups; n is an integer from 1 to 6; and X 3 is an organic sulfonyloxy group.

  本发明的目的是提供一种高产率制备噁唑化合物的方法。该目的可以通过式（11）表示的化合物实现：其中R1是氢原子或低烷基基团；R2是在4-位被取代的1-哌啶基团，所述取代基被选择自（A1a）在苯基上取代一个或多个卤素取代低烷氧基的苯氧基，（A1b）在苯基上取代一个或多个卤素取代低烷基的苯氧基取代低烷基基团，（A1c）在苯基上取代卤素的苯基取代低烷氧基低烷基基团，（A1d）在苯基上取代一个或多个卤素取代低烷氧基的苯基取代低烷基基团，（A1e）取代有苯基的氨基取代一个或多个卤素取代低烷氧基的苯基和低烷基基团，以及（A1f）在苯基上取代一个或多个卤素取代低烷氧基的苯基取代低烷氧基基团；n是1到6的整数；X3是有机磺酰氧基团。
• Synthetic intermediate of oxazole compound and method for producing the same
  申请人：Yamamoto Akihiro

  公开号：US08598358B2

  公开（公告）日：2013-12-03

  An object of the present invention is to provide a method for producing an oxazole compound in a high yield. The object can be achieved by a compound represented by Formula (11): wherein R1 is a hydrogen atom or lower-alkyl group; R2 is a 1-piperidyl group substituted at the 4-position with a substituent selected from (A1a) a phenoxy group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups, (A1b) a phenoxy-substituted lower-alkyl group substituted on the phenyl moiety with one or more halogen-substituted lower-alkyl groups, (A1c) a phenyl-substituted lower-alkoxy lower-alkyl group substituted on the phenyl moiety with halogen, (A1d) a phenyl-substituted lower-alkyl group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups, (A1e) an amino group substituted with a phenyl group substituted with one or more halogen-substituted lower-alkoxy groups, and a lower-alkyl group, and (A1f) a phenyl-substituted lower-alkoxy group substituted on the phenyl moiety with one or more halogen-substituted lower-alkoxy groups; n is an integer from 1 to 6; and X3 is an organic sulfonyloxy group.

  本发明的目的是提供一种高产率合成噁唑化合物的方法。该目的可以通过公式（11）所表示的化合物实现：其中，R1是氢原子或低烷基基团；R2是在4位被取代的1-哌啶基团，所述取代基被选择自：（A1a）苯基取代苯基部分上带有一种或多种卤素取代的低烷氧基取代基的苯氧基；（A1b）苯基取代苯基部分上带有一种或多种卤素取代的低烷基取代基的苯氧基取代基；（A1c）苯基取代苯基部分上带有卤素的低烷氧基低烷基取代基的苯基取代基；（A1d）苯基取代苯基部分上带有一种或多种卤素取代的低烷氧基取代基的苯基取代基；（A1e）氨基取代一种带有一种或多种卤素取代的低烷氧基的苯基取代的苯基，以及一种低烷基基团；和（A1f）苯基取代苯基部分上带有一种或多种卤素取代的低烷氧基取代基的苯基取代基。n是1到6的整数；X3是有机磺酰氧基团。
• Method for producing 1-(4-hydroxyphenyl)-4-(4-trifluoromethoxyphenoxy)piperidine or salt thereof
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：US10252995B2

  公开（公告）日：2019-04-09

  The present invention provides a method for producing 1-(4-hydroxyphenyl)-4-(4-trifluoromethoxyphenoxy)piperidine or a salt thereof, the method including the step of heating hydroquinone and 4-(4-trifluoromethoxyphenoxy)piperidine. This method can produce 1-(4-hydroxyphenyl)-4-(4-trifluoromethoxyphenoxy)piperidine or a salt thereof in an industrially advantageous manner.

  本发明提供了一种生产1-(4-羟基苯基)-4-(4-三氟甲氧基苯氧基)哌啶或其盐的方法，该方法包括加热对苯二酚和4-(4-三氟甲氧基苯氧基)哌啶的步骤。该方法能以工业上有利的方式生产 1-(4-羟基苯基)-4-(4-三氟甲氧基苯氧基)哌啶或其盐。
• US8598358B2
  申请人：——

  公开号：US8598358B2

  公开（公告）日：2013-12-03
• [EN] PROCESS FOR THE PREPARATION OF DERIVATIVES OF 1,1-DIALKYLETHANE-1,2-DIOLS AS USEFUL INTERMEDIATES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DÉRIVÉS DE 1,1-DIALKYLÉTHANE-1,2-DIOLS EN TANT QU'INTERMÉDIAIRES UTILES
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2020202205A1

  公开（公告）日：2020-10-08

  The invention provides a novel and practical route of synthesis the substituted diol intermediates, 1,1-dialkylethane-1,2-diols, useful for the preparation of various 6-nitro-2,3-dihydroimidazo[2,1-b]oxazole containing drugs. Specifically, the invention provides a novel and practical route of an intermediate which is used for the synthesis of Delamanid.