benzyl (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• 英文名称: benzyl (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
• 英文别名: benzyl (1S)-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxylate
• 化学式: C₂₃H₂₁NO₂
• 分子量: 343.425
• InChiKey: XEOGRGKCLZMLGX-QFIPXVFZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  benzyl (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate 、 苯甲醇钠 、 (R)-(-)-3-奎宁醇 以 N,N-二甲基甲酰胺 、 甲苯 为溶剂， 反应 8.0h， 生成 (1S,3'R)-2'-benzylquinuclidin-3'-yl-1-phenyl-1,2,3,4-terahydroisoquinoline-2-carboxylate 、 索非那新
  参考文献：
  名称：

  EP1726304

  摘要：

  公开号：
• 作为产物：
  描述：

  (S)-1-苯基-1,2,3,4-四氢异喹啉 、 氯甲酸苄酯 在 potassium carbonate 作用下， 以 水 、 甲苯 为溶剂， 反应 4.0h， 生成 benzyl (S)-1-phenyl-1,2,3,4-tetrahydroisoquinoline-2-carboxylate
  参考文献：
  名称：

  EP1726304

  摘要：

  公开号：

文献信息

• Method for producing solifenacin or salts thereof
  申请人：Inakoshi Masatoshi

  公开号：US20070185329A1

  公开（公告）日：2007-08-09

  There is provided a novel method for producing solifenacin or a salt thereof which is useful as a medicine, particularly a therapeutic agent and/or a preventive agent for a urinary organ system disease such as pollakiuria or urinary incontinence. Illustratively, there are provided (1) a method for producing solifenacin in which 2-(1H-imidazolylcarbonyl)-1-phenyltetrahydroisoquinoline is used as the starting material, (2) a method for producing solifenacin succinate in which (1RS)-phenyltetrahydroisoquinoline-carboxylic acid quinuclidinyl ester is used as the starting material, (3) a method for producing solifenacin in which a lower alkyl quinuclidinyl carbonate is used as the starting material and (4) a method for producing solifenacin in which phenyltetrahydroisoquinoline-carboxylic acid secondary lower alkyl or tertiary lower alkyl ester is used as the starting material and allowed to react with an alkali metal lower alkoxide.

  提供了一种新的制备索利费南或其盐的方法，该方法可用作药物，特别是用于治疗和/或预防尿生殖器官疾病，如尿频或尿失禁的治疗剂和/或预防剂。例如，提供了以下四种方法：（1）使用2-（1H-咪唑基）-1-苯基四氢异喹啉作为起始材料制备索利费南的方法；（2）使用（1RS）-苯基四氢异喹啉-羧酸奎尼克啶酯作为起始材料制备索利费南琥珀酸盐的方法；（3）使用较低烷基奎尼库啶碳酸酯作为起始材料制备索利费南的方法；（4）使用苯基四氢异喹啉-羧酸次级较低烷基或三级较低烷基酯作为起始材料，并与碱金属较低烷氧化物反应制备索利费南的方法。
• Solifenacin-containing composition
  申请人：Inakoshi Masatoshi

  公开号：US20070191425A1

  公开（公告）日：2007-08-16

  To provide a novel method for producing a composition comprising solifenacin or a salt thereof, and a composition comprising solifenacin or a salt thereof as produced by the method, wherein an optionally substituted lower alkyl is added to the 2-position of the quinuclidine of solifenacin. The composition of the present invention contains a highly pure solifenacin, while the unexpected compounds specific to the method in an extremely low content, so that it has very preferable properties as a bulk for pharmaceutical products.

  提供一种生产含有索利那汀或其盐的组合物的新方法，以及由该方法生产的含有索利那汀或其盐的组合物，其中在索利那汀的喹啉环的2位加入一个可选的取代较低的烷基。本发明的组合物含有高度纯净的索利那汀，同时非常低的意外化合物含量，因此作为药品产品原料非常有优越性能。
• PROCESS FOR PRODUCING SOLIFENACIN OR ITS SALT
  申请人：Astellas Pharma Inc.

  公开号：EP1757604A1

  公开（公告）日：2007-02-28

  There is provided a novel method for producing solifenacin or a salt thereof which is useful as a medicine, particularly a therapeutic agent and/or a preventive agent for a urinary organ system disease such as pollakiuria or urinary incontinence. Illustratively, there are provided (1) a method for producing solifenacin in which 2-(1H-imidazolylcarbonyl)-1-phenyltetrahydroisoquinoline is used as the starting material, (2) a method for producing solifenacin succinate in which (1RS)-phenyltetrahydroisoquinoline-carboxylic acid quinuclidinyl ester is used as the starting material, (3) a method for producing solifenacin in which a lower alkyl quinuclidinyl carbonate is used as the starting material and (4) a method for producing solifenacin in which phenyltetrahydroisoquinoline-carboxylic acid secondary lower alkyl or tertiary lower alkyl ester is used as the starting material and allowed to react with an alkali metal lower alkoxide.

  本发明提供了一种生产索利芬那新或其盐的新方法，该方法可用作药物，特别是泌尿器官系统疾病（如花粉尿症或尿失禁）的治疗剂和/或预防剂。示例性地，提供了(1)一种生产索利那新的方法，其中使用 2-(1H-咪唑羰基)-1-苯基四氢异喹啉作为起始原料；(2)一种生产索利那新琥珀酸酯的方法，其中使用(1RS)-苯基四氢异喹啉-羧酸奎宁酯作为起始原料、(4) 以苯基四氢异喹啉-羧酸仲低级烷基酯或叔低级烷基酯为起始原料，使其与碱金属低级烷氧基化合物反应，生产索利那新的方法。
• Synthesis of solifenacin monosuccinate
  申请人：Astellas Pharma Inc.

  公开号：EP2305676B1

  公开（公告）日：2012-10-17
• US7829715B2
  申请人：——

  公开号：US7829715B2

  公开（公告）日：2010-11-09