3-(6-methyl-2-oxo-3H-1-benzofuran-5-yl)propanoic acid | 129667-25-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 3-(6-methyl-2-oxo-3H-1-benzofuran-5-yl)propanoic acid
• CAS: 129667-25-0
• 化学式: C₁₂H₁₂O₄
• 分子量: 220.225
• InChiKey: NFPLKUIGBXLYAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.47
• 重原子数：
  16.0
• 可旋转键数：
  3.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  63.6
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  ethyl 2-chloro-2-(butylthio)acetate 、 4-羟基-2-甲基苯丙酸甲酯 生成 3-(6-methyl-2-oxo-3H-1-benzofuran-5-yl)propanoic acid 、 3-(4-methyl-2-oxo-3H-1-benzofuran-5-yl)propanoic acid
  参考文献：
  名称：

  Kennedy, Michael; McKervey, M. Anthony; Maguire, Anita R., Journal of the Chemical Society. Perkin transactions I, 1990, # 4, p. 1041 - 1045

  摘要：

  DOI：

文献信息

• KENNEDY, MICHAEL;MCKERVEY, M. ANTHONY;MAGUIRE, ANITA R.;NAUGHTON, SEAN, J. CHEM. SOC. PT 1. PERKIN TRANS.,(1990) N, C. 1041-1045
  作者：KENNEDY, MICHAEL、MCKERVEY, M. ANTHONY、MAGUIRE, ANITA R.、NAUGHTON, SEAN

  DOI：——

  日期：——
• [EN] REGIOSELECTIVE SYNTHESIS OF SUBSTITUTED COMPOUNDS<br/>[FR] SYNTHÈSE RÉGIOSÉLECTIVE DE COMPOSÉS SUBSTITUÉS
  申请人：UNIV OREGON STATE

  公开号：WO2021211982A2

  公开（公告）日：2021-10-21

  Disclosed herein are embodiments of a method for making substituted compounds with specific and selectable regiochemistry. Also disclosed are compounds made by the method. The method may comprise contacting a compound having a formula I, with a compound according to formula II, in the presence of a Lewis acid to form a phenol compound according to formula III and/or a benzofuranone compound according to formula IV.
• Kennedy, Michael; McKervey, M. Anthony; Maguire, Anita R., Journal of the Chemical Society. Perkin transactions I, 1990, # 4, p. 1041 - 1045
  作者：Kennedy, Michael、McKervey, M. Anthony、Maguire, Anita R.、Naughton, Sean

  DOI：——

  日期：——