2-isopropenyl-5-nitrophenol | 1415385-85-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 2-isopropenyl-5-nitrophenol
• 英文别名: 5-Nitro-2-prop-1-en-2-ylphenol
• CAS: 1415385-85-1
• 化学式: C₉H₉NO₃
• 分子量: 179.175
• InChiKey: ZLJWMHNGAHMCEI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  66
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-methyl-7-nitro-2H-chromen-2-one 在 potassium hydroxide 作用下， 以 乙二醇 为溶剂， 以10%的产率得到2-isopropenyl-5-nitrophenol
  参考文献：
  名称：

  Ethylene glycol as hydrogen donor for the syntheses of thymol analogues via hydrolysis of 4-methylcoumarins

  摘要：

  Treatment of 4-methylcoumarins with potassium hydroxide in ethylene glycol resulted in the formation of the 'normal' 2-isopropenylphenols and/or the 'abnormal' 2-isopropylphenols depending on the nature of the substrates. The solvent ethylene glycol was believed to be the hydrogen donor for double-bonding reduction where 2-isopropylphenol was produced. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2012.09.122

文献信息

• MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR
  申请人：Binch Hayley

  公开号：US20100168094A1

  公开（公告）日：2010-07-01

  The present invention relates to modulators of ATP-Binding Cassette (“ABC”) transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating diseases using such CFTR modulators.

  本发明涉及调节ATP结合盒（“ABC”）转运蛋白或其片段的调节剂，包括囊性纤维化跨膜传导调节蛋白，以及相关的组合物和方法。本发明还涉及利用这些CFTR调节剂治疗疾病的方法。
• Modulators of ATP-binding cassette transporters
  申请人：Vertex Pharmaceuticals Incorporated

  公开号：EP2489659A1

  公开（公告）日：2012-08-22

  The present invention relates to modulators of ATP-Binding Cassette ("ABC") transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, composition thereof, and methods therewith. The present invention also relates to methods of treating ABC transporter mediated diseases using such modulators.

  本发明涉及 ATP 结合盒（"ABC"）转运体或其片段的调节剂，包括囊性纤维化跨膜传导调节剂、其组合物和使用方法。本发明还涉及使用此类调节剂治疗 ABC 转运体介导的疾病的方法。
• US8367660B2
  申请人：——

  公开号：US8367660B2

  公开（公告）日：2013-02-05
• [EN] MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR<br/>[FR] MODULATEURS DU RÉGULATEUR DE LA CONDUCTANCE TRANSMEMBRANAIRE DE LA FIBROSE KYSTIQUE
  申请人：VERTEX PHARMA

  公开号：WO2010078103A1

  公开（公告）日：2010-07-08

  The present invention relates to modulators of ATP-Binding Cassette ("ABC") transporters or fragments thereof, including Cystic Fibrosis Transmembrane Conductance Regulator, compositions thereof, and methods therewith. The present invention also relates to methods of treating diseases using such CFTR modulators.