(+)-6-chloro-2,3-dihydro-4H-1-benzopyran-2-carboxylic acid | 164265-07-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (+)-6-chloro-2,3-dihydro-4H-1-benzopyran-2-carboxylic acid
• 英文别名: (S)-6-Chlorochroman-2-carboxylicacid；(2S)-6-chloro-3,4-dihydro-2H-chromene-2-carboxylic acid
• CAS: 164265-07-0
• 化学式: C₁₀H₉ClO₃
• 分子量: 212.633
• InChiKey: UIVQVPBZOASIML-VIFPVBQESA-N

物化性质

• 沸点：
  394.7±42.0 °C(Predicted)
• 密度：
  1.403±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (+)-6-chloro-2,3-dihydro-4H-1-benzopyran-2-carboxylic acid 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 5.0h， 以90%的产率得到(+)-6-chloro-2-hydroxymethyl-2,3-dihydro-4H-1-benzopyran
  参考文献：
  名称：

  6-Chloro-2,3-dihydro-4H-1-benzopyran carboxylic acids: Synthesis, optical resolution and absolute configuration

  摘要：

  6-Chloro-2,3-dihydro-4H-1-benzopyran-2-carboxylic acid, a rigid analogue of clofibric acid, the active metabolite of the antilipidemic drug clofibrate, has been prepared together with two isomers, 6-chloro-2,3-dihydro-4H-1-benzopyran-3- and 4-carboxylic acids. The three acids have been resolved into their optical antipodes and the absolute configuration established by chemical correlation.

  DOI：

  10.1016/0957-4166(95)00111-2
• 作为产物：
  描述：

  6-氯-3,4-二氢-2H-1-苯并吡喃-2-羧酸 生成 (+)-6-chloro-2,3-dihydro-4H-1-benzopyran-2-carboxylic acid
  参考文献：
  名称：

  6-Chloro-2,3-dihydro-4H-1-benzopyran carboxylic acids: Synthesis, optical resolution and absolute configuration

  摘要：

  6-Chloro-2,3-dihydro-4H-1-benzopyran-2-carboxylic acid, a rigid analogue of clofibric acid, the active metabolite of the antilipidemic drug clofibrate, has been prepared together with two isomers, 6-chloro-2,3-dihydro-4H-1-benzopyran-3- and 4-carboxylic acids. The three acids have been resolved into their optical antipodes and the absolute configuration established by chemical correlation.

  DOI：

  10.1016/0957-4166(95)00111-2

文献信息

• Fused bicyclic carboxamide derivatives and methods of their use
  申请人：Dolle E. Roland

  公开号：US20050054630A1

  公开（公告）日：2005-03-10

  Fused bicyclic carboxamide derivatives are disclosed. Pharmaceutical compositions containing the compounds and methods for their use are also disclosed.

  揭示了融合的双环羧酰胺衍生物。还公开了含有这些化合物的药物组合物以及它们的使用方法。
• US7034051B2
  申请人：——

  公开号：US7034051B2

  公开（公告）日：2006-04-25
• [EN] FUSED BICYCLIC CARBOXAMIDE DERIVATIVES AND METHODS OF THEIR USE<br/>[FR] DERIVES DE CARBOXAMIDES BICYCLIQUES FUSIONNES ET LEURS PROCEDES D'UTILISATION
  申请人：ADOLOR CORP

  公开号：WO2005023799A1

  公开（公告）日：2005-03-17

  Fused bicyclic carboxamide derivatives of the general formula (I) are disclosed. Pharmaceutical compositions containing the compounds and methods for their use, inter alia, in treating and/or preventing pain, pruritus, and gastrointestinal disorders are also disclosed.
• 6-Chloro-2,3-dihydro-4H-1-benzopyran carboxylic acids: Synthesis, optical resolution and absolute configuration
  作者：Fulvio Loiodice、Antonio Longo、Pasquale Bianco、Vincenzo Tortorella

  DOI：10.1016/0957-4166(95)00111-2

  日期：1995.4

  6-Chloro-2,3-dihydro-4H-1-benzopyran-2-carboxylic acid, a rigid analogue of clofibric acid, the active metabolite of the antilipidemic drug clofibrate, has been prepared together with two isomers, 6-chloro-2,3-dihydro-4H-1-benzopyran-3- and 4-carboxylic acids. The three acids have been resolved into their optical antipodes and the absolute configuration established by chemical correlation.