tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate | 897666-34-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
• 英文别名: 4-[2-(4-fluoro-phenoxy)-ethyl]-piperidine-1-carboxylic acid tert-butyl ester
• CAS: 897666-34-1
• 化学式: C₁₈H₂₆FNO₃
• 分子量: 323.408
• InChiKey: MRTJPGWXVQSUOU-UHFFFAOYSA-N

物化性质

• 沸点：
  414.1±15.0 °C(Predicted)
• 密度：
  1.096±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.61
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate 在 盐酸 作用下， 以 乙醚 为溶剂， 反应 0.5h， 生成 4-[2-(4-fluoro-phenoxy)-ethyl]-piperidine hydrochloride
  参考文献：
  名称：

  Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators

  摘要：

  式I的化合物： 其中A、B、D、L、R1、R2、R3、R4、m和n的定义如描述中所定义。本发明还涉及制备这些化合物的方法，以及用于制备的新中间体，含有这些化合物的药物组合物，以及这些化合物在治疗中的应用。

  公开号：

  US20090192169A1
• 作为产物：
  描述：

  4-氟苯酚 、 N-Boc-4-哌啶乙醇 在 triphenylphosphine tagged with poly-(ethyleneglycol)-ω-monomethyl ether 、 diethyl azodicarboxylate tagged with poly-(ethyleneglycol)-ω-monomethyl ether 作用下， 以 四氢呋喃 为溶剂， 反应 20.0h， 以62 mol的产率得到tert-butyl 4-[2-(4-fluorophenoxy)ethyl]piperidine-1-carboxylate
  参考文献：
  名称：

  Synthesis of Arrays Using Low Molecular Weight MPEG-Assisted Mitsunobu Reaction

  摘要：

  Triphenylphosphine tagged with a short poly(ethyleneglycol)-omega-monomethyl ether chain (light MPEG, 10-16 ethylenoxy units, (TPP)-T-M-G2) and an MPEG-tagged version of diethyl azodicarboxylate ((M)DEAD) have been used to prepare a 20 member library of esters, ethers, and sulfonamides, with cLogP's in the range of 1.4-5.7 on a 0.1 mmol scale. Removal of MPEG-tagged side products was achieved by MPEG-assisted solid-phase extraction (MSPE) on prepacked silica columns to give the products in good yield and high purity.

  DOI：

  10.1021/co100091n

文献信息

• Tricyclic benzimidazoles and their use as metabotropic glutamate receptor modulators
  申请人：Isaac Methvin

  公开号：US20070032469A1

  公开（公告）日：2007-02-08

  The invention provides for a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein R 1 , R 2 , R 3 , A, B, D, m, n, x, and y are defined as described in the specification. The invention additionally provides a pharmaceutically composition comprising the compound of formula I, together with a method of using the same to treat or prevent neurological and psychiatric disorders. The compounds are useful in therapy related to the treatment or prevention of mGluR2 receptor-mediated disorders.

  该发明提供了一个式(I)的化合物或其药用盐：其中R1、R2、R3、A、B、D、m、n、x和y的定义如规范中所述。该发明还提供了一种包含式I化合物的药用组合物，以及使用该组合物来治疗或预防神经学和精神疾病的方法。这些化合物在与mGluR2受体介导的疾病的治疗或预防相关的治疗中是有用的。
• Tricyclic Benzimidazoles and Their Use as Metabotropic Glutamate Receptor Modulators
  申请人：Isaac Methvin

  公开号：US20080318999A1

  公开（公告）日：2008-12-25

  The invention provides for a compound of formula (I) or a pharmaceutically acceptable salt thereof: wherein R 1 , R 2 , R 3 , A, B, D, m, n, x, and y are defined as described in the specification. The invention additionally provides a pharmaceutically composition comprising the compound of formula I, together with a method of using the same to treat or prevent neurological and psychiatric disorders. The compounds are useful in therapy related to the treatment or prevention of mGluR2 receptor-mediated disorders.

  该发明提供了式（I）的化合物或其药学上可接受的盐：其中，R1、R2、R3、A、B、D、m、n、x和y的定义如规范所述。此外，该发明还提供了包括式I的药学组合物，以及使用该组合物治疗或预防神经系统和精神疾病的方法。这些化合物在治疗或预防mGluR2受体介导的疾病的相关治疗中是有用的。
• Pyrazolone Compounds As Metabotropic Glutamate Receptor Agonists For The Treatment Of Neurological And Psychiatric Disorders
  申请人：Balestra Michael

  公开号：US20090069340A1

  公开（公告）日：2009-03-12

  Compounds of Formula (I), wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X, and n are as defined for Formula (I) in the description, processes for the preparation of the compounds and new intermediates employed in the preparation, pharmaceutical compositions containing the compounds, and the use of the compounds in the treatment or prevention of neurological and psychiatric disorders associated with glutamate dysfunction.

  公式（I）的化合物，其中R1，R2，R3，R4，R5，R6，X和n的定义如描述中的公式（I），制备该化合物的过程以及用于制备的新中间体，含有该化合物的制药组合物以及在治疗或预防与谷氨酸功能障碍有关的神经系统和精神障碍中使用该化合物。
• WO2006/71730
  申请人：——

  公开号：——

  公开（公告）日：——
• PYRAZOLONE COMPOUNDS AS METABOTROPIC GLUTAMATE RECEPTOR AGONISTS FOR THE TREATMENT OF NEUROLOGICAL AND PSYCHIATRIC DISORDERS
  申请人：AstraZeneca AB

  公开号：EP1833800A1

  公开（公告）日：2007-09-19