(5aS,8aS)-tert-butyl 3-phenyl-5a,6,8,8a-tetrahydropyrrolo[3,4-b][1,2,3]triazolo[1,5-d][1,4]oxazine-7(4H)-carboxylate | 1160004-80-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: (5aS,8aS)-tert-butyl 3-phenyl-5a,6,8,8a-tetrahydropyrrolo[3,4-b][1,2,3]triazolo[1,5-d][1,4]oxazine-7(4H)-carboxylate
• 英文别名: (5aS,8aS)-tert-butyl 3-phenyl-5a,6,8,8a-tetrahydropyrrolo[3,4-b][1,2,3] triazolo[1,5-d][1,4]oxazine-7(4H)-carboxylate；tert-butyl (2S,6S)-10-phenyl-7-oxa-1,4,11,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxylate
• CAS: 1160004-80-7
• 化学式: C₁₈H₂₂N₄O₃
• 分子量: 342.398
• InChiKey: HTCLNVAOYSGBPM-ZFWWWQNUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  69.5
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  (3S,4S)-tert-butyl 3-azido-4-(3-phenylprop-2-ynyloxy)pyrrolidine-1-carboxylate 以 邻二甲苯 为溶剂， 以afforded the titled compound (68 mg, 57%) as white solid的产率得到(5aS,8aS)-tert-butyl 3-phenyl-5a,6,8,8a-tetrahydropyrrolo[3,4-b][1,2,3]triazolo[1,5-d][1,4]oxazine-7(4H)-carboxylate
  参考文献：
  名称：

  Tricyclic triazolic compounds

  摘要：

  本发明涉及新的三环三唑化合物，具有高亲和力的sigma-1受体，以及其制备过程，包括它们的组成物和作为药物的用途，根据式(I)的化合物，其中R1和R2如描述中所定义。

  公开号：

  US08362011B2

文献信息

• [EN] TRICYCLIC TRIAZOLIC COMPOUNDS<br/>[FR] COMPOSÉS TRIAZOLIQUES TRICYCLIQUES
  申请人：ESTEVE LABOR DR

  公开号：WO2009071657A1

  公开（公告）日：2009-06-11

  The present invention relates to new tricyclic triazolic compounds having a high affinity for sigma-1 receptor as well as to the process for the preparation thereof, to composition comprising them and to their use as medicaments according to compounds of formula (I), Wherein R1 and R2 are as defined in the description.

  本发明涉及一种新的三环三唑化合物，其具有高亲和力的sigma-1受体，以及其制备过程，包括它们的组成物和它们作为药物的用途，根据式(I)的化合物，其中R1和R2如描述中所定义。
• TRICYCLIC TRIAZOLIC COMPOUNDS
  申请人：Pericas-Brondo Miguel Angel

  公开号：US20100298309A1

  公开（公告）日：2010-11-25

  The present invention relates to new tricyclic triazolic compounds having a high affinity for sigma-1 receptor as well as to the process for the preparation thereof, to composition comprising them and to their use as medicaments according to compounds of formula (I), Wherein R 1 and R 2 are as defined in the description.

  本发明涉及一种新的三环三唑化合物，其具有对sigma-1受体的高亲和力，以及其制备过程、包含它们的组合物和作为药物的用途，根据式(I)的化合物，其中R1和R2如描述中所定义。
• Intramolecular Azide−Alkyne Cycloaddition for the Fast Assembly of Structurally Diverse, Tricyclic 1,2,3-Triazoles
  作者：Ana I. Oliva、Ute Christmann、Daniel Font、Félix Cuevas、Pablo Ballester、Helmut Buschmann、Antoni Torrens、Susana Yenes、Miquel A. Pericàs

  DOI：10.1021/ol800291t

  日期：2008.4.1

  The synthesis of novel tricyclic 1,2,3-triazoles starting from cyclic epoxides via the sequential azidolysis, propargylation and 1,3-dipolar cycloaddition is described. Derivatization by N-arylation reaction and the synthesis of enantiomerically pure compounds is also reported. Some of these compounds exhibit significant affinity for the sigma-1 receptor.
• US8362011B2
  申请人：——

  公开号：US8362011B2

  公开（公告）日：2013-01-29