1-[(3-Fluoropropyl)sulfanyl]-2,5-dimethoxy-4-(2-nitroethenyl)benzene | 648957-30-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1-[(3-Fluoropropyl)sulfanyl]-2,5-dimethoxy-4-(2-nitroethenyl)benzene
• 英文别名: 1-(3-fluoropropylsulfanyl)-2,5-dimethoxy-4-(2-nitroethenyl)benzene
• CAS: 648957-30-6
• 化学式: C₁₃H₁₆FNO₄S
• 分子量: 301.339
• InChiKey: KMBQXYLXSLEBJM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  20
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  89.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-[(3-Fluoropropyl)sulfanyl]-2,5-dimethoxy-4-(2-nitroethenyl)benzene 在 sodium tetrahydroborate 、 copper dichloride 作用下， 以 丙醇 、 水 为溶剂， 以48 %的产率得到2,5-dimethoxy-4-(3-fluoropropylthio)phenethylamine
  参考文献：
  名称：

  [EN] THERAPEUTIC PHENETHYLAMINE COMPOSITIONS AND METHODS OF USE
  [FR] COMPOSITIONS DE PHÉNÉTHYLAMINE THÉRAPEUTIQUE ET PROCÉDÉS D'UTILISATION

  摘要：

  There are disclosed phenethylamine compounds, the use of such compounds in the treatment of diseases associated with a serotonin 5-HT2receptor, pharmaceutical compositions such as tablet compositions and kits containing the compounds, methods of delivering the compounds in a mist via inhalation, and methods of treating diseases or disorders associated with a serotonin 5-HT2receptor, such as central nervous system (CNS) disorders or psychological disorders with the disclosed compounds.

  公开号：

  WO2023156450A1
• 作为产物：
  描述：

  2,5-二甲氧基苯硫酚 在 ammonium acetate 、 potassium carbonate 、 溶剂黄146 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 4.0h， 生成 1-[(3-Fluoropropyl)sulfanyl]-2,5-dimethoxy-4-(2-nitroethenyl)benzene
  参考文献：
  名称：

  [EN] THERAPEUTIC PHENETHYLAMINE COMPOSITIONS AND METHODS OF USE
  [FR] COMPOSITIONS DE PHÉNÉTHYLAMINE THÉRAPEUTIQUE ET PROCÉDÉS D'UTILISATION

  摘要：

  There are disclosed phenethylamine compounds, the use of such compounds in the treatment of diseases associated with a serotonin 5-HT2receptor, pharmaceutical compositions such as tablet compositions and kits containing the compounds, methods of delivering the compounds in a mist via inhalation, and methods of treating diseases or disorders associated with a serotonin 5-HT2receptor, such as central nervous system (CNS) disorders or psychological disorders with the disclosed compounds.

  公开号：

  WO2023156450A1

文献信息

• [EN] THERAPEUTIC PHENETHYLAMINE COMPOSITIONS AND METHODS OF USE<br/>[FR] COMPOSITIONS DE PHÉNÉTHYLAMINE THÉRAPEUTIQUE ET PROCÉDÉS D'UTILISATION
  申请人：[en]CYBIN IRL LIMITED

  公开号：WO2023156450A1

  公开（公告）日：2023-08-24

  There are disclosed phenethylamine compounds, the use of such compounds in the treatment of diseases associated with a serotonin 5-HT2receptor, pharmaceutical compositions such as tablet compositions and kits containing the compounds, methods of delivering the compounds in a mist via inhalation, and methods of treating diseases or disorders associated with a serotonin 5-HT2receptor, such as central nervous system (CNS) disorders or psychological disorders with the disclosed compounds.