4,7-dihydroxy-5-methylcoumarin | 23664-28-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 英文名称: 4,7-dihydroxy-5-methylcoumarin
• 英文别名: 4,7-dihydroxy-5-methyl-chromen-2-one；4,7-dihydroxy-5-methyl-coumarin；4,7-Dihydroxy-5-methyl-cumarin；4,6-Dihydroxy-5-methyl-coumarin；4,7-Dihydroxy-5-methylcumarin；4,7-dihydroxy-5-methylchromen-2-one
• CAS: 23664-28-0
• 化学式: C₁₀H₈O₄
• 分子量: 192.171
• InChiKey: OZEQMLIYSCBNBR-UHFFFAOYSA-N

物化性质

• 熔点：
  266-267 °C
• 沸点：
  452.0±45.0 °C(Predicted)
• 密度：
  1.515±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  66.8
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4,7-dihydroxy-5-methylcoumarin 生成 [5-methyl-4-(4-methylphenyl)sulfonyloxy-2-oxochromen-7-yl] 4-methylbenzenesulfonate
  参考文献：
  名称：

  AHLUWALIA V. K.; DHINGRA S.; KAPUS K., INDIAN J. CHEM., 1979, B18, NO 1, 79-80

  摘要：

  DOI：
• 作为产物：
  描述：

  3,5,7,9-Tetraoxo-decanoic acid methyl ester 在 silica gel 作用下， 以 乙酸乙酯 为溶剂， 生成 4,7-dihydroxy-5-methylcoumarin
  参考文献：
  名称：

  Condensations at the 6 position of the methyl ester and the dimethylamide of 3,5-dioxohexanoic acid via 2,4,6-trianions

  摘要：

  DOI：

  10.1021/jo00325a026

文献信息

• [EN] SUBSTITUTED FUROCHROMENE COMPOUNDS OF ANTIINFLAMMATORY ACTION<br/>[FR] COMPOSES DE FUROCHROMENE SUBSTITUES A ACTION ANTI-INFLAMMATOIRE
  申请人：PLIVA ISTRAZIVACKI INST D O O

  公开号：WO2005010006A1

  公开（公告）日：2005-02-03

  The present invention relates to novel compounds of the formula (I) including all stereoisomers and tautomers, to the pharmaceutically acceptable salts and solvates thereof, to the processes and reactive intermediates for their preparation and to their use in the prophylaxis and treatment of asthma and other inflammatory diseases and/or conditions in humans.

  本发明涉及公式（I）的新化合物，包括所有立体异构体和互变异构体，以及其药用可接受盐和溶剂合物，用于预防和治疗人类的哮喘和其他炎症性疾病和/或情况的过程和反应中间体，以及它们的使用。
• [EN] SUBSTITUTED FUROCHROMENES, PREPARATION THEREOF AND THEIR ANTIINFLAMMATORY ACTION<br/>[FR] FUROCHROMENES SUBSTITUES, PREPARATION DE CEUX-CI ET LEUR ACTION ANTI-INFLAMMATOIRE
  申请人：PLIVA ISTRAZIVACKI INST D O O

  公开号：WO2005010007A1

  公开（公告）日：2005-02-03

  The invention relates to novel compounds of formula (I) including all their tautomers to pharmaceutically acceptable salts and solvates thereof, to processes and reactive intermediates for the preparation thereof; to processes and reactive intermediates for the preparation of compounds of formula (II) including all their stereoisomers and tautomers to the use of the compounds of the formula (II) as suitable precursors for the preparation of the compounds of the formula (I) as well as to use of the compounds of the formula (I) and of the compounds of the formula (II) as therapeutically active agents in the prophylaxis and treatment of asthma and other inflammatory diesases and conditions in humans.

  该发明涉及公式（I）的新化合物，包括所有其互变异构体，以及其药学上可接受的盐和溶剂化合物；用于其制备的过程和活性中间体；用于制备公式（II）化合物的过程和活性中间体，包括其所有立体异构体和互变异构体；将公式（II）化合物用作公式（I）化合物的适当前体的用途，以及将公式（I）化合物和公式（II）化合物用作在人类预防和治疗哮喘和其他炎症性疾病和症状中的治疗活性剂的用途。
• Substituted furochromenes, preparation thereof and their antiinflammatory action
  申请人：Mercep Mladen

  公开号：US20060148889A1

  公开（公告）日：2006-07-06

  The invention relates to novel compounds of the formula (I) including all their tautomers, to pharmaceutically acceptable salts and solvates thereof, to processes and reactive intermediates for the preparation thereof, and to processes and reactive intermediates for the preparation of the compounds of the formula (II) including all their stereoisomers and tautomers to the use of the compounds of the formula (II) as suitable precursors for the preparation of the compounds of the formula (I) as well as to use of the compounds of the formula (I) and of the compounds of the formula (II) as therapeutically active agents in the prophylaxis and treatment of asthma and other inflammatory diesases and conditions in humans.

  本发明涉及公式（I）的新化合物及其所有互变异构体，其药学上可接受的盐和溶剂化物，以及其制备的过程和反应中间体，以及公式（II）的化合物及其所有立体异构体和互变异构体的制备过程和反应中间体。本发明还涉及使用公式（II）的化合物作为制备公式（I）的合适前体，以及使用公式（I）和公式（II）的化合物作为治疗哮喘和其他人类炎症疾病和病况的治疗活性剂的用途。
• Substituted furochromene compounds of antiinflammatory action
  申请人：Mercep Mladen

  公开号：US20060148890A1

  公开（公告）日：2006-07-06

  The present invention relates to novel compounds of the formula (I) including all stereoisomers and tautomers thereof, to the pharmaceutically acceptable salts and solvates thereof, to the processes and reactive intermediates for their preparation and to their use in the prophylaxis and treatment of asthma and other inflammatory diesases and/or conditions in humans.

  本发明涉及式（I）的新化合物，包括其所有立体异构体和互变异构体、药学上可接受的盐和溶剂合物，以及其制备过程和反应中间体，以及它们在预防和治疗人类哮喘和其他炎症性疾病和/或病况中的用途。
• Evans, Geoffrey E.; Staunton, James, Journal of the Chemical Society. Perkin transactions I, 1988, p. 755 - 762
  作者：Evans, Geoffrey E.、Staunton, James

  DOI：——

  日期：——