5-ethyl-2-hydroxy-3-methoxybenzaldehyde | 42044-93-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 5-ethyl-2-hydroxy-3-methoxybenzaldehyde
• 英文别名: 5-Aethyl-2-hydroxy-3-methoxy-benzaldehyd；5-Ethyl-2-hydroxy-3-methoxybenzaldehyd
• CAS: 42044-93-9
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: YSHWKKGQACCKOW-UHFFFAOYSA-N

物化性质

• 沸点：
  120 °C(Press: 2 Torr)
• 密度：
  1.152±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• 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：

  5-ethyl-2-hydroxy-3-methoxybenzaldehyde 在 盐酸 、 amalgamated zinc 作用下， 生成 4-乙基-2-甲氧基-6-甲基苯酚
  参考文献：
  名称：

  Tobacco Smoke Chemistry. 2. Alkyl and Alkenyl Substituted Guaiacols Found in Cigarette Smoke Condensate.

  摘要：

  A series of alkyl and alkenyl substituted guaiacols, which comprise a group of biologically and organoleptically active compounds, have been synthesized. Mass spectra and GC retention times for these have been recorded and compared with those obtained for constituents of a weakly acidic fraction of smoke condensate derived from American blend type cigarettes. On the basis of these results, 25 guaiacols have been identified, 18 of which have not been detected in tobacco smoke condensate previously.

  DOI：

  10.3891/acta.chem.scand.43-0044
• 作为产物：
  描述：

  5-ethyl-3-methoxy-2-(tetrahydro-2H-pyran-2-yloxy)benzaldehyde 在 盐酸 作用下， 以 水 、 乙腈 为溶剂， 以85%的产率得到5-ethyl-2-hydroxy-3-methoxybenzaldehyde
  参考文献：
  名称：

  [EN] CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS
  [FR] DERIVES DE CHROMENE A TITRE D'AGENTS ANTI-INFLAMMATOIRES

  摘要：

  该发明涉及在治疗与环氧合酶-2介导的疾病相关的情况中具有效用的方法和化合物。特别感兴趣的化合物是由式(I)定义的苯并吡喃和它们的类似物。其中Z、X、R1、R2、R3和R4如规范中所述。

  公开号：

  WO2004087687A1

文献信息

• Benzopyran compounds useful for treating inflammatory conditions
  申请人：Carter Jeffery

  公开号：US20050148777A1

  公开（公告）日：2005-07-07

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with cyclooxygenase-2 mediated disorders. Compounds of particular interest are benzopyrans and their analogs defined by formula 1 Wherein Z, X, R 1 , R 2, R 3 , and R 4 are as described in the specification.

  本发明涉及与环氧合酶-2介导的疾病相关的病症治疗方法和化合物。特别感兴趣的化合物是由公式1定义的苯并吡喃和其类似物，其中Z、X、R1、R2、R3和R4如规范中所述。
• Benzopyran compounds for use in the treatment and prevention of inflammation related conditions
  申请人：Carter Jeffery

  公开号：US20050148627A1

  公开（公告）日：2005-07-07

  The subject invention concerns methods and compounds that have utility in the treatment of a condition associated with cyclooxygenase-2 mediated disorders. Compounds of particular interest are benzopyrans and their analogs defined by formula 1 Wherein Z, X, R 1 , R 2 , R 3 , and R 4 are as described in the specification.

  本发明涉及用于治疗与环氧合酶-2介导的疾病相关的条件的方法和化合物。特别感兴趣的化合物是苯并吡喃和它们的类似物，其由公式1定义，其中Z、X、R1、R2、R3和R4如规范中所述。
• [EN] BENZOPYRAN COMPOUNDS USEFUL FOR TREATING INFLAMMATORY CONDITIONS<br/>[FR] COMPOSES BENZOPYRANIQUES UTILISABLES DANS LE TRAITEMENT DES PATHOLOGIES INFLAMMATOIRES
  申请人：PHARMACIA CORP

  公开号：WO2004087686A3

  公开（公告）日：2004-12-16
• Krajniak,E.R. et al., Australian Journal of Chemistry, 1973, vol. 26, p. 1337 - 1351
  作者：Krajniak,E.R. et al.

  DOI：——

  日期：——
• EP1615905A2
  申请人：——

  公开号：EP1615905A2

  公开（公告）日：2006-01-18