1-phenyl-1-(4-methylphenoxy)-3-chloropropane | 200004-15-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-phenyl-1-(4-methylphenoxy)-3-chloropropane
• 英文别名: 1-(3-Chloro-1-phenylpropoxy)-4-methylbenzene
• CAS: 200004-15-5
• 化学式: C₁₆H₁₇ClO
• 分子量: 260.763
• InChiKey: DOJGFLBKPRSTCW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  咪唑 、 1-phenyl-1-(4-methylphenoxy)-3-chloropropane 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 以70%的产率得到1-[3-(4-Methylphenoxy)-3-phenyl-propyl]imidazole
  参考文献：
  名称：

  Imidazole Analogues of Fluoxetine, a Novel Class of Anti-Candida Agents

  摘要：

  Imidazole analogues of fluoxetine have been obtained by replacing the methylamino terminus of aminopropane chain with the imidazole ring. The newly designed imidazoles showed potent anti-Candida activity, superior to those of miconazole and other antifungal agents of clinical interest. 1-(4-Chlorophenyl)-1-(2,4-dichlorophenoxy)-3-(1H-imidazol-1-yl)propane (16), the most active among test imidazoles, was about 2-fold more active and as much less cytotoxic than miconazole. High increase of activity was observed with methyl, nitro, fluorine, and chlorine (Cl > F > CH3 > NO2 > CF3).

  DOI：

  10.1021/jm049856v
• 作为产物：
  描述：

  3-氯-1-苯基丙醇 在 三溴化磷 、 sodium hydride 作用下， 以 乙醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 62.5h， 生成 1-phenyl-1-(4-methylphenoxy)-3-chloropropane
  参考文献：
  名称：

  Imidazole Analogues of Fluoxetine, a Novel Class of Anti-Candida Agents

  摘要：

  Imidazole analogues of fluoxetine have been obtained by replacing the methylamino terminus of aminopropane chain with the imidazole ring. The newly designed imidazoles showed potent anti-Candida activity, superior to those of miconazole and other antifungal agents of clinical interest. 1-(4-Chlorophenyl)-1-(2,4-dichlorophenoxy)-3-(1H-imidazol-1-yl)propane (16), the most active among test imidazoles, was about 2-fold more active and as much less cytotoxic than miconazole. High increase of activity was observed with methyl, nitro, fluorine, and chlorine (Cl > F > CH3 > NO2 > CF3).

  DOI：

  10.1021/jm049856v

文献信息

• [EN] PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS<br/>[FR] PRODUIT PHARMACEUTIQUE POUR LE TRAITEMENT DE TROUBLES NEUROLOGIQUES ET NEUROPSYCHIATRIQUES
  申请人：TROPHIX PHARMACEUTICALS, INC.

  公开号：WO1997045115A1

  公开（公告）日：1997-12-04

  (EN) The invention provides a pharmaceutical for treatment of neurological and neuropsychiatric disorders comprising a compound of formula (I) or a pharmaceutically acceptable salt thereof.(FR) Cette invention concerne un produit pharmaceutique destiné au traitement de troubles neurologiques ou neuropsychiatriques. Ledit produit pharmaceutique comprend un composé ayant la formule (I) ou un sel pharmaceutiquement acceptable dudit composé.

  该发明提供了一种用于治疗神经和神经精神障碍的药物，包括公式(I)的化合物或其药学上可接受的盐。
• Pharmaceutical for treatment of neurological and neuropsychiatric disorders
  申请人：——

  公开号：US20010012857A1

  公开（公告）日：2001-08-09

  The invention provides a pharmaceutical for treatment of neurological and neuropsychiatric disorders comprising a compound of the formula: 1 or a pharmaceutically acceptable salt thereof.

  该发明提供了一种用于治疗神经和神经精神障碍的药物，包括式1的化合物或其药学上可接受的盐。
• PHARMACEUTICAL FOR TREATMENT OF NEUROLOGICAL AND NEUROPSYCHIATRIC DISORDERS
  申请人：Allelix Neuroscience Inc.

  公开号：EP1014966A1

  公开（公告）日：2000-07-05
• EP1014966A4
  申请人：——

  公开号：EP1014966A4

  公开（公告）日：2001-10-04
• US7019024B2
  申请人：——

  公开号：US7019024B2

  公开（公告）日：2006-03-28