1-(3-bromopropoxy)-2,4-difluorobenzene | 169286-55-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(3-bromopropoxy)-2,4-difluorobenzene
• CAS: 169286-55-9
• 化学式: C₉H₉BrF₂O
• 分子量: 251.071
• InChiKey: AKNKHQCSQOOERR-UHFFFAOYSA-N

物化性质

• 沸点：
  285.8±30.0 °C(Predicted)
• 密度：
  1.494±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(3-bromopropoxy)-2,4-difluorobenzene 在 盐酸 作用下， 以 甲醇 、 乙醇 、 乙二醇甲醚 、 水 为溶剂， 反应 30.0h， 生成
  参考文献：
  名称：

  Phenoxypropoxybiguanides, Prodrugs of DHFR−Inhibiting Diaminotriazine Antimalarials

  摘要：

  A total of 34 analogues of the biguanide PS-15 (5s), a prodrug of the diaminotriazine WR99210 (8s), have been prepared. Several of them, such as 5b (PS-33) and 5m. (PS-26), maintain or exceed the in vivo activity of PS-15 while not requiring the use of highly regulated starting materials. The putative diaminotriazine metabolites of these new analogues (compounds 8) have also been prepared and shown to maintain the activity against resistant P. falciparum strains. The structure-activity relationships of biguanides 5 and putative metabolites 8 are discussed.

  DOI：

  10.1021/jm010089z
• 作为产物：
  描述：

  2,4-二氟苯酚 、 1,3-二溴丙烷 在 sodium hydroxide 、 四丁基硫酸氢铵 作用下， 反应 31.0h， 生成 1-(3-bromopropoxy)-2,4-difluorobenzene
  参考文献：
  名称：

  Phenoxypropoxybiguanides, Prodrugs of DHFR−Inhibiting Diaminotriazine Antimalarials

  摘要：

  A total of 34 analogues of the biguanide PS-15 (5s), a prodrug of the diaminotriazine WR99210 (8s), have been prepared. Several of them, such as 5b (PS-33) and 5m. (PS-26), maintain or exceed the in vivo activity of PS-15 while not requiring the use of highly regulated starting materials. The putative diaminotriazine metabolites of these new analogues (compounds 8) have also been prepared and shown to maintain the activity against resistant P. falciparum strains. The structure-activity relationships of biguanides 5 and putative metabolites 8 are discussed.

  DOI：

  10.1021/jm010089z

文献信息

• [EN] ORGANIC COMPOUNDS<br/>[FR] COMPOSES ORGANIQUES
  申请人：SPEEDEL EXPERIMENTA AG

  公开号：WO2005061457A1

  公开（公告）日：2005-07-07

  Novel substituted piperidines of the general formulae (I) and (II) with the substituent definitions as explained in detail in the description are described. The compounds are suitable in particular as renin inhibitors and are highly potent.

  描述了一种具有一般式(I)和(II)的新型替代哌啶化合物，其中详细说明了取代基定义。这些化合物特别适用作为肾素抑制剂，并且具有很高的效力。
• Organic compounds
  申请人：Herold Peter

  公开号：US20090012055A1

  公开（公告）日：2009-01-08

  Novel substituted piperidines of the general formulae (I) and (II) with the substituent definitions as explained in detail in the description are described. The compounds are suitable in particular as renin inhibitors and are highly potent.

  描述了一种通式为(I)和(II)的新型替代哌啶，其中所述的取代基定义在详细说明中。这些化合物特别适用于作为肾素抑制剂，并且具有高度的效力。
• Piperidine Compounds
  申请人：Speedel Experimenta AG

  公开号：EP1961752A2

  公开（公告）日：2008-08-27

  Novel substituted piperidines of the general formulae (I) with the substituent definitions as explained in detail in the description are described. The compounds are suitable in particular as renin inhibitors and are highly potent.

  通式为(I)的新型取代哌啶类化合物 的新型取代哌啶类化合物，其取代基定义详见说明。这些化合物尤其适合用作肾素抑制剂，而且具有很强的效力。
• WO2007/69986
  申请人：——

  公开号：——

  公开（公告）日：——
• 4,5-DIPHENYLIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ACYL COENZYME A: CHOLESTEROL-0-ACYL-TRANSFERASE (ACAT) INHIBITOR
  申请人：PHARMACIA S.p.A.

  公开号：EP0680472A1

  公开（公告）日：1995-11-08