3-chloro-6-hydroxy-5-isopropyl-2-methyl-benzaldehyde | 100126-76-9

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: 3-chloro-6-hydroxy-5-isopropyl-2-methyl-benzaldehyde
• 英文别名: 3-Chlor-6-hydroxy-5-isopropyl-2-methyl-benzaldehyd；3-Chloro-6-hydroxy-5-isopropyl-2-methylbenzaldehyde；5-chloro-2-hydroxy-6-methyl-3-propan-2-ylbenzaldehyde
• CAS: 100126-76-9
• 化学式: C₁₁H₁₃ClO₂
• mdl: MFCD19302442
• 分子量: 212.676
• InChiKey: WUFBDZSNYLIZFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-chloro-6-hydroxy-5-isopropyl-2-methyl-benzaldehyde 生成 3-chloro-6-hydroxy-5-isopropyl-2-methyl-benzaldehyde-oxime
  参考文献：
  名称：

  Liggett; Diehl, Proceedings of the Iowa Academy of Science, 1945, vol. 52, p. 191,195

  摘要：

  DOI：
• 作为产物：
  描述：

  4-氯-2-异丙基-5-甲基苯酚 在 乌洛托品 、 硼酸 、 甘油 作用下， 生成 3-chloro-6-hydroxy-5-isopropyl-2-methyl-benzaldehyde
  参考文献：
  名称：

  Liggett; Diehl, Proceedings of the Iowa Academy of Science, 1945, vol. 52, p. 191,195

  摘要：

  DOI：

文献信息

• [EN] CHROMENE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS<br/>[FR] DERIVES DE CHROMENE A TITRE D'AGENTS ANTI-INFLAMMATOIRES
  申请人：PHARMACIA CORP

  公开号：WO2004087687A1

  公开（公告）日：2004-10-14

  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 (I). Wherein Z, X, R1, R2, R3, and R4 are as described in the specification.

  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。
• 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
• Bisagni; Royer, Bulletin de la Societe Chimique de France, 1959, p. 521,526
  作者：Bisagni、Royer

  DOI：——

  日期：——