[(3S)-2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-1-benzofuran-3-yl]methyl methanesulfonate | 188061-16-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 香豆素
• 英文名称: [(3S)-2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-1-benzofuran-3-yl]methyl methanesulfonate
• CAS: 188061-16-7
• 化学式: C₂₂H₂₈O₅S
• 分子量: 404.527
• InChiKey: WGIBNVWKXOOEGX-GOSISDBHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  70.2
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  [(3S)-2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-1-benzofuran-3-yl]methyl methanesulfonate 在 palladium on activated charcoal 氢气 、 potassium carbonate 、 溶剂黄146 作用下， 以 乙醇 、 乙腈 为溶剂， 反应 38.0h， 生成 (3S)-5-hydroxy-3-<(4-methylpiperazino)-methyl>-2,2,4,6,7-pentamethyl-2,3-dihydro-1-benzofuran
  参考文献：
  名称：

  Enzymatic resolution for an improved enantioselective synthesis of benzofuranyl derivatives: precursors to a class of vitamin E related antioxidants

  摘要：

  Enzymatic resolution of 3-hydroxymethylbenzofurans using Candida rugosa lipase provides an enantioselective synthesis of vitamin E related antioxidants. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(96)00494-6
• 作为产物：
  描述：

  5-benzyloxy-2,2,4,6,7-pentamethyl-1-benzofuran-3-carbinol 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 生成 [(3S)-2,2,4,6,7-pentamethyl-5-phenylmethoxy-3H-1-benzofuran-3-yl]methyl methanesulfonate
  参考文献：
  名称：

  Enzymatic resolution for an improved enantioselective synthesis of benzofuranyl derivatives: precursors to a class of vitamin E related antioxidants

  摘要：

  Enzymatic resolution of 3-hydroxymethylbenzofurans using Candida rugosa lipase provides an enantioselective synthesis of vitamin E related antioxidants. (C) 1997 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0957-4166(96)00494-6

文献信息

• [EN] NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX COMPOSES HETEROCYCLIQUES PRESENTANT DES PROPRIETES ANTIDIABETIQUES, HYPOLIPIDEMIANTES, ANTIHYPERTENSIVES, LEUR PROCEDE DE PREPARATION ET COMPOSITIONS PHARMACEUTIQUES LES CONTENANT
  申请人：DR. REDDY'S RESEARCH FOUNDATION

  公开号：WO1997041121A1

  公开（公告）日：1997-11-06

  (EN) The present invention relates to novel antidiabetic compounds, their tautomeric forms, their derivatives, their stereoisomers, their polymorphs, their pharmaceutically acceptable salts, their pharmaceutically acceptable solvates and pharmaceutically acceptable compositions containing them. This invention particularly relates to novel azolidinedione derivatives of general formula (I), and their pharmaceutically acceptable salts, pharmaceutically acceptable solvates and pharmaceutical compositions containing them.(FR) La présente invention concerne des nouveaux composés antidiabétiques, leurs formes tautomères, leurs dérivés, leurs stéréoisomères, leurs polymorphes, leurs sels pharmaceutiquement acceptables, leurs solvates pharmaceutiquement acceptables et des compositions pharmaceutiquement acceptables les contenant. L'invention concerne notamment de nouveaux dérivés d'azolidinediène de la formule générale (I) et leurs sels pharmaceutiquement acceptables, solvates pharmaceutiquement acceptables et des compositions pharmaceutiques les contenant.

  本发明涉及新型抗糖尿病化合物，它们的互变异构体，它们的衍生物，它们的立体异构体，它们的多晶形式，它们的药学上可接受的盐，它们的药学上可接受的溶剂和包含它们的药学上可接受的组合物。本发明特别涉及一般式(I)的新型噁唑烷二酮衍生物，以及它们的药学上可接受的盐、药学上可接受的溶剂和包含它们的药物组合物。
• NOVEL HETEROCYCLIC COMPOUNDS HAVING ANTIDIABETIC, HYPOLIPIDAEMIC, ANTIHYPERTENSIVE PROPERTIES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Dr. Reddy's Laboratories Ltd.

  公开号：EP0894089B9

  公开（公告）日：2003-04-02
• US5889032A
  申请人：——

  公开号：US5889032A

  公开（公告）日：1999-03-30
• Enzymatic resolution for an improved enantioselective synthesis of benzofuranyl derivatives: precursors to a class of vitamin E related antioxidants
  作者：Timothy A. Ayers、Richard A. Schnettler、Gilbert Marciniak、Kenneth T. Stewart、Rajesh K. Mishra、Damian J. Krysan、Bradley R. Bernas、Poonam Bhardwaj、Thomas L. Fevig

  DOI：10.1016/s0957-4166(96)00494-6

  日期：1997.1

  Enzymatic resolution of 3-hydroxymethylbenzofurans using Candida rugosa lipase provides an enantioselective synthesis of vitamin E related antioxidants. (C) 1997 Published by Elsevier Science Ltd.