4-(1-azabicyclo[2.2.2]oct-3-yloxy)phenol | 854935-03-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: 4-(1-azabicyclo[2.2.2]oct-3-yloxy)phenol
• 英文别名: 4-(1-azabicyclo[2.2.2]octan-3-yloxy)phenol
• CAS: 854935-03-8
• 化学式: C₁₃H₁₇NO₂
• 分子量: 219.283
• InChiKey: PDXLGABXWHDVFI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  32.7
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(1-azabicyclo[2.2.2]oct-3-yloxy)phenol 在 盐酸 作用下， 以 1,4-二氧六环 、 乙酸乙酯 为溶剂， 以92%的产率得到4-(1-azabicyclo[2.2.2]oct-3-yloxy)phenol Hydrochloride
  参考文献：
  名称：

  3-Quinuclidinyl heteroatom bridged biaryl derivatives

  摘要：

  化合物的结构式（I）或其药学上可接受的盐、酰胺或前药，其中：n为0、1或2；X1为O、S、—N(R1)—、—N(Ar2)—和N(R2)C(O)—；Ar1为六元芳香环；Ar2为环己烷或根据本文定义的单环或双环芳香环。这些化合物可用于治疗由nAChR配体预防或缓解的疾病或疾病。还公开了具有结构式（I）化合物的药物组合物以及使用这些化合物和组合物的方法。

  公开号：

  US20050137398A1
• 作为产物：
  描述：

  3-[4-(benzyloxy)phenoxy]quinuclidine 在 钯 氢气 作用下， 以 乙醇 为溶剂， 反应 10.0h， 以to provide the title compound as a colorless oil (0.72, yield, 84%)的产率得到4-(1-azabicyclo[2.2.2]oct-3-yloxy)phenol
  参考文献：
  名称：

  3-quinuclidinyl heteroatom bridged biaryl derivatives

  摘要：

  化合物的式子：或其药学上可接受的盐、酯、酰胺或前药，其中：A和G各自独立地为N或N+—O−；m和n各自独立地为0、1或2；X1和X3各自独立地为O、S和—N(R1)—；X2为O、S、—N(R1)—、—N(Ar2)—和—N(R2)C(O)—；Ar1为六元芳环；Ar2为环己基或单环或双环芳环，R13为氢、烷基或卤素，按照此处的定义。这些化合物在治疗由nAChR配体预防或缓解的疾病或疾病方面有用。还公开了具有式（I）和式（II）化合物的制药组合物及使用这种化合物和组合物的方法。

  公开号：

  US07241773B2

文献信息

• 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES
  申请人：ABBOTT LABORATORIES

  公开号：EP1735305A2

  公开（公告）日：2006-12-27
• US7241773B2
  申请人：——

  公开号：US7241773B2

  公开（公告）日：2007-07-10
• [EN] 3-QUINUCLIDINYL HETEROATOM BRIDGED BIARYL DERIVATIVES<br/>[FR] DERIVES DE BIARYLE A PONT HETEROATOMIQUE DE 3-QUINUCLIDINYLE
  申请人：ABBOTT LAB

  公开号：WO2005066167A2

  公开（公告）日：2005-07-21

  Compounds of formula (I) or (II) , or pharmaceutically acceptable salts, esters, amides, or prodrugs thereof, wherein: A and G are each independently N or N+-O-; m and n are each independently 0, 1, or 2; X1 and X3 are each independently O, S, and -N(R1)-; X2 is O, S, -N(R1)-, -N(Ar2)-, and -N(R2)C(O)-; Ar1 is a six-membered aromatic ring; Ar2 is cyclohexyl or a mono- or bicyclic aromatic ring, and R13 is hydrogen, alkyl, or halogen, as defined herein. The compounds are useful in treating conditions or disorders prevented by or ameliorated by nAChR ligands. Also disclosed are pharmaceutical compositions having compounds of formulas (I) and (II) and methods for using such compounds and compositions.
• 3-Quinuclidinyl heteroatom bridged biaryl derivatives
  申请人：Ji Jianguo

  公开号：US20050137226A1

  公开（公告）日：2005-06-23

  Compounds of formula: or pharmaceutically acceptable salts, esters, amides, or prodrugs thereof, wherein: A and G are each independently N or N + —O − ; m and n are each independently 0, 1, or 2; X 1 and X 3 are each independently O, S, and —N(R 1 )—; X 2 is O, S, —N(R 1 )—, —N(Ar 2 )—, and —N(R 2 )C(O)—; Ar 1 is a six-membered aromatic ring; Ar 2 is cyclohexyl or a mono- or bicyclic aromatic ring, and R 13 is hydrogen, alkyl, or halogen, as defined herein. The compounds are useful in treating conditions or disorders prevented by or ameliorated by nAChR ligands. Also disclosed are pharmaceutical compositions having compounds of formulas (I) and (II) and methods for using such compounds and compositions.

  化合物的化学式：或其药学上可接受的盐、酯、酰胺或前药，其中：A和G分别独立为N或N+—O−；m和n分别独立为0、1或2；X1和X3分别独立为O、S和—N(R1)—；X2为O、S、—N(R1)—、—N(Ar2)—和—N(R2)C(O)—；Ar1是一个六元芳香环；Ar2是环己烷或单环或双环芳香环，R13是氢、烷基或卤素，如本文所定义。这些化合物可用于治疗由nAChR配体预防或改善的病症或障碍。还公开了含有化合物的药物组合物的化学式(I)和(II)以及使用这些化合物和组合物的方法。
• 3-quinuclidinyl heteroatom bridged biaryl derivatives
  申请人：Abbott Laboratories

  公开号：US07241773B2

  公开（公告）日：2007-07-10

  Compounds of formula: or pharmaceutically acceptable salts, esters, amides, or prodrugs thereof, wherein: A and G are each independently N or N+—O−; m and n are each independently 0, 1, or 2; X1 and X3 are each independently O, S, and —N(R1)—; X2 is O, S, —N(R1)—, —N(Ar2)—and —N(R2)C(O)—; Ar1 is a six-membered aromatic ring; Ar2 is cyclohexyl or a mono- or bicyclic aromatic ring, and R13 is hydrogen, alkyl, or halogen, as defined herein. The compounds are useful in treating conditions or disorders prevented by or ameliorated by nAChR ligands. Also disclosed are pharmaceutical compositions having compounds of formulas (I) and (II) and methods for using such compounds and compositions.

  化合物的式子：或其药学上可接受的盐、酯、酰胺或前药，其中：A和G各自独立地为N或N+—O−；m和n各自独立地为0、1或2；X1和X3各自独立地为O、S和—N(R1)—；X2为O、S、—N(R1)—、—N(Ar2)—和—N(R2)C(O)—；Ar1为六元芳环；Ar2为环己基或单环或双环芳环，R13为氢、烷基或卤素，按照此处的定义。这些化合物在治疗由nAChR配体预防或缓解的疾病或疾病方面有用。还公开了具有式（I）和式（II）化合物的制药组合物及使用这种化合物和组合物的方法。