8-methoxy-1-(2'-methoxybiphenyl-4-yl)-5,6-dihydro-4H-pyrido[2,3-f][1,2,4]triazolo[4,3-a][1,4]diazepine | 871583-45-8

• 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: 8-methoxy-1-(2'-methoxybiphenyl-4-yl)-5,6-dihydro-4H-pyrido[2,3-f][1,2,4]triazolo[4,3-a][1,4]diazepine
• 英文别名: 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene
• CAS: 871583-45-8
• 化学式: C₂₃H₂₁N₅O₂
• 分子量: 399.452
• InChiKey: SUFHFTNIGGSKEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  74.1
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  8-methoxy-1-(2'-methoxybiphenyl-4-yl)-5,6-dihydro-4H-pyrido[2,3-f][1,2,4]triazolo[4,3-a][1,4]diazepine 、 氯甲酸甲酯 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 以72%的产率得到Methyl 12-methoxy-3-[4-(2-methoxyphenyl)phenyl]-2,4,5,8,11-pentazatricyclo[8.4.0.02,6]tetradeca-1(10),3,5,11,13-pentaene-8-carboxylate
  参考文献：
  名称：

  Versatile Synthesis of Fused Tricyclic 1,2,4-Triazole Derivatives

  摘要：

  [image omitted] The synthesis of a small series of fused tricyclic 1,2,4-triazoles is described. The key reaction is an intramolecular two-stage, one-pot reduction/cyclization sequence of a nitropyridine/oxadiazole substrate to give the key tricyclic triazole. Further standard transformations convert this template into a series of final target compounds.

  DOI：

  10.1080/00397911003707170
• 作为产物：
  描述：

  5-benzyl-1-(4-bromophenyl)-8-methoxy-5,6-dihydro-4H-pyrido[2,3-f][1,2,4]triazolo[4,3-a][1,4]diazepine 在 四(三苯基膦)钯 、 20 % Pd(OH)2/C 、 ammonium formate 、 sodium carbonate 作用下， 以 乙二醇二甲醚 、 乙醇 、 水 为溶剂， 反应 13.0h， 生成 8-methoxy-1-(2'-methoxybiphenyl-4-yl)-5,6-dihydro-4H-pyrido[2,3-f][1,2,4]triazolo[4,3-a][1,4]diazepine
  参考文献：
  名称：

  Versatile Synthesis of Fused Tricyclic 1,2,4-Triazole Derivatives

  摘要：

  [image omitted] The synthesis of a small series of fused tricyclic 1,2,4-triazoles is described. The key reaction is an intramolecular two-stage, one-pot reduction/cyclization sequence of a nitropyridine/oxadiazole substrate to give the key tricyclic triazole. Further standard transformations convert this template into a series of final target compounds.

  DOI：

  10.1080/00397911003707170

文献信息

• [EN] SUBSTITUTED TRIAZOLE DERIVATIVES AS OXYTOCIN ANTAGONISTS<br/>[FR] DERIVES TRIAZOLE SUBSTITUES UTILISES EN TANT QU'ANTAGONISTES DE L'OXYTOCINE
  申请人：PFIZER LTD

  公开号：WO2005121152A1

  公开（公告）日：2005-12-22

  This invention relates to compounds of formula (I) with activity as oxytocin antagonists, uses thereof, processes for the preparation thereof and compositions containing said inhibitors. These inhibitors have utility in a variety of therapeutic areas including sexual dysfunction, particularly premature ejaculation (P.E.).

  这项发明涉及具有氧催产素拮抗活性的化合物(I)，其用途，其制备方法以及含有该抑制剂的组合物。这些抑制剂在多种治疗领域中具有用途，包括性功能障碍，特别是早泄（P.E.）。
• Substituted triazole derivatives as oxytocin antagonists
  申请人：Brown Daniel Alan

  公开号：US20070185078A1

  公开（公告）日：2007-08-09

  This invention relates to compounds of formula (I)

  该发明涉及式(I)的化合物。
• Versatile Synthesis of Fused Tricyclic 1,2,4-Triazole Derivatives
  作者：David Ellis

  DOI：10.1080/00397911003707170

  日期：2011.3.3

  [image omitted] The synthesis of a small series of fused tricyclic 1,2,4-triazoles is described. The key reaction is an intramolecular two-stage, one-pot reduction/cyclization sequence of a nitropyridine/oxadiazole substrate to give the key tricyclic triazole. Further standard transformations convert this template into a series of final target compounds.