(5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid tert-butyl ester | 1208101-46-5

• 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: (5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid tert-butyl ester
• 英文别名: Tert-butyl 2-((5-oxo-5,6,7,8-tetrahydronaphthalen-1-yl)oxy)acetate；tert-butyl 2-[(5-oxo-7,8-dihydro-6H-naphthalen-1-yl)oxy]acetate
• CAS: 1208101-46-5
• 化学式: C₁₆H₂₀O₄
• 分子量: 276.332
• InChiKey: KILMZQATCJRYNW-UHFFFAOYSA-N

物化性质

• 沸点：
  410.9±40.0 °C(Predicted)
• 密度：
  1.137±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  52.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid tert-butyl ester 在 [RhCl2(p-cymene)]2 甲酸 、 三乙胺 、 (1S,2S)-(+)-N-对甲苯磺酰基-1,2-二苯基乙二胺 作用下， 反应 25.0h， 生成 ((S)-5-Hydroxy-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid tert-butyl ester
  参考文献：
  名称：

  BI-ARYL AMINOTETRALINES

  摘要：

  这项发明涉及式I的化合物：及其药学上可接受的盐和酯，其中R1-R5，A，B，Q，W和X在详细描述和索赔中有定义。此外，本发明涉及制造和使用式I的化合物的方法，以及含有这种化合物的药物组合物。式I的化合物是CRTH2受体的拮抗剂，可能对治疗与该受体相关的疾病和紊乱有用，如哮喘。

  公开号：

  US20100041714A1
• 作为产物：
  描述：

  溴乙酸叔丁酯 、 5-羟基-1-四氢萘酮 在 caesium carbonate 作用下， 以 乙腈 为溶剂， 以71%的产率得到(5-oxo-5,6,7,8-tetrahydro-naphthalen-1-yloxy)-acetic acid tert-butyl ester
  参考文献：
  名称：

  BI-ARYL AMINOTETRALINES

  摘要：

  这项发明涉及式I的化合物：及其药学上可接受的盐和酯，其中R1-R5，A，B，Q，W和X在详细描述和索赔中有定义。此外，本发明涉及制造和使用式I的化合物的方法，以及含有这种化合物的药物组合物。式I的化合物是CRTH2受体的拮抗剂，可能对治疗与该受体相关的疾病和紊乱有用，如哮喘。

  公开号：

  US20100041714A1

文献信息

• MONOARYL AMINOTETRALINES
  申请人：Blanc Jean-Baptiste

  公开号：US20100041760A1

  公开（公告）日：2010-02-18

  The invention is concerned with the compounds of formula I: and pharmaceutically acceptable salts and esters thereof, wherein R 1 , R 2 and R 3 are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds of formula I are antagonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.

  这项发明涉及公式I的化合物及其药用盐和酯，其中R1、R2和R3在详细说明和权利要求中有定义。此外，本发明涉及制备和使用公式I化合物的方法，以及含有这些化合物的药物组合物。公式I的化合物是CRTH2受体的拮抗剂，可能在治疗与该受体相关的疾病和紊乱方面有用，如哮喘。
• Bi-aryl aminotetralines
  申请人：Hoffman-La Roche Inc.

  公开号：US08163781B2

  公开（公告）日：2012-04-24

  The invention is concerned with the compounds of formula I: and pharmaceutically acceptable salts and esters thereof, wherein R1-R5, A, B, Q, W, and X are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula I as well as pharmaceutical compositions containing such compounds. The compounds of formula I are antagonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.

  本发明涉及I式化合物及其药学上可接受的盐和酯，其中R1-R5，A，B，Q，W和X在详细说明和权利要求中有定义。此外，本发明还涉及制造和使用I式化合物的方法，以及含有这种化合物的药物组合物。I式化合物是CRTH2受体的拮抗剂，可能有助于治疗与该受体相关的疾病和紊乱，如哮喘。
• US8163781B2
  申请人：——

  公开号：US8163781B2

  公开（公告）日：2012-04-24
• [EN] BI-ARYL AMINOTETRALINES<br/>[FR] BI-ARYLE AMINOTÉTRALINES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010018113A2

  公开（公告）日：2010-02-18

  The invention is concerned with the compounds of formula (I) and pharmaceutically acceptable salts and esters thereof, wherein R1-R5, A, B, Q, W, and X are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds of formula (I) are antagonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.
• [EN] MONOARYL AMINOTETRALINES<br/>[FR] MONOARYLE AMINOTÉTRALINES
  申请人：HOFFMANN LA ROCHE

  公开号：WO2010018112A2

  公开（公告）日：2010-02-18

  The invention is concerned with the compounds of formula (I): and pharmaceutically acceptable salts and esters thereof, wherein R1, R2 and R3 are defined in the detailed description and claims. In addition, the present invention relates to methods of manufacturing and using the compounds of formula (I) as well as pharmaceutical compositions containing such compounds. The compounds of formula (I) are antagonists at the CRTH2 receptor and may be useful in treating diseases and disorders associated with that receptor such as asthma.