2-(2-Fluorophenoxy)phenol | 1268486-26-5

• 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: 2-(2-Fluorophenoxy)phenol
• CAS: 1268486-26-5
• 化学式: C₁₂H₉FO₂
• 分子量: 204.201
• InChiKey: ULFVFOMZJIBKKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(2-Fluorophenoxy)phenol 、 1-Boc-3-羟基吡咯烷 在 偶氮二甲酸二异丙酯 、 三苯基膦 作用下， 以 四氢呋喃 为溶剂， 反应 16.0h， 生成 tert-butyl 3-(2-(2-fluorophenoxy)phenoxy)pyrrolidine-1-carboxylate
  参考文献：
  名称：

  Design, synthesis, and pharmacological evaluation of azetedine and pyrrolidine derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists

  摘要：

  Compounds with combined norepinephrine reuptake inhibitor (NRI) and serotonin 1A (5-HT1A) partial agonist pharmacology may offer a new therapeutic approach for treating symptoms of neuropsychiatric disorders including ADHD, depression, and anxiety. Herein we describe the design and optimization of novel chemical matter that exhibits favorable dual NRI and 5-HT1A partial agonist activity. Lead compounds in this series were found to be devoid of activity at the dopamine transporter and were shown to be brain penetrant with high receptor occupancy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.066
• 作为产物：
  描述：

  在 potassium hydroxide 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 2-(2-Fluorophenoxy)phenol
  参考文献：
  名称：

  Design, synthesis, and pharmacological evaluation of azetedine and pyrrolidine derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists

  摘要：

  Compounds with combined norepinephrine reuptake inhibitor (NRI) and serotonin 1A (5-HT1A) partial agonist pharmacology may offer a new therapeutic approach for treating symptoms of neuropsychiatric disorders including ADHD, depression, and anxiety. Herein we describe the design and optimization of novel chemical matter that exhibits favorable dual NRI and 5-HT1A partial agonist activity. Lead compounds in this series were found to be devoid of activity at the dopamine transporter and were shown to be brain penetrant with high receptor occupancy. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.066

文献信息

• US4684394A
  申请人：——

  公开号：US4684394A

  公开（公告）日：1987-08-04
• US4943586A
  申请人：——

  公开号：US4943586A

  公开（公告）日：1990-07-24
• US5192787A
  申请人：——

  公开号：US5192787A

  公开（公告）日：1993-03-09
• [EN] PYRAZOLE-CONTAINING JUVENILE HORMONE MIMICS FOR PEST CONTROL, COMPOSITIONS AND USE
  申请人：ARIZONA BOARD OF REGENTS on behalf OF THE UNIVERSITY OF ARIZONA

  公开号：WO1990006678A1

  公开（公告）日：1990-06-28

  (EN) A compound having pesticidal activity and which has general formula (I), wherein R1 is selected from hydrogen, C1-6 alkyl, halogen, C1-6 alkoxy, C2-6 alkoxycarbonyl, amino, nitro, CF3, and C1-5-(alkyl and dialkyl)-amino; X is a divalent hydrocarbon radical having 1 to 8 carbon atoms in its backbone, which may be interrupted by 1 or 2 of O or S, and which may be substituted by 1 or more halogens, C1-4 alkyl groups or C1-4 alkoxy groups; Y is O, S, CH2, SO, or SO2; Z is O, S, CH2, SO, or SO2; R2 is selected from hydrogen, halogen, C1-6 alkyl, C1-6 alkoxy, C2-6 alkoxycarbonyl, amino, nitro, and CF3; and R3 is selected from hydrogen, halogen, C1-6 alkyl, C1-6 alkoxy, C2-6 alkoxycarbonyl, amino, nitro, C1-5-(alkyl and dialkyl)amino, and CF3.(FR) Le composé décrit, qui se caractérise par une action pesticide, est représenté par la formule générale suivante: (I), où R1 est choisi parmi hydrogène, alkyle C1-6, halogène, alkoxy C1-6, alkoxycarbonyle C2-6, amino, nitro, un CF3, et (alkyl et dialkyl)-C1-5-amino; X représente un radical d'hydrocarbures bivalent comportant 1 à 8 atomes de carbone dans son squelette, qui peut être interrompu par 1 ou 2 O ou S et qui peut être substitué par 1 ou plusieurs halogènes, des groupes alkyleC1-4 ou des groupes alkoxy C1-4; Y représente O, S, C, CH2, SO, ou SO2; Z représente O, S, CH2, SO, ou SO2: R2 est choisi parmi hydrogène, halogène, alkyle C1-6, alkoxy C1-6, alkoxycarbonyle C2-6, amino, nitro, et CF3; et R3 est choisi parmi hydrogène, halogène, alkyle C1-6, alkoxy C1-6, alkoxycarbonyle C2-6, amino, nitro, (alkyl et dialkyl)-C1-5-amino, et CF3.
• Design, synthesis, and pharmacological evaluation of azetedine and pyrrolidine derivatives as dual norepinephrine reuptake inhibitors and 5-HT1A partial agonists
  作者：Martin Pettersson、Brian M. Campbell、Amy B. Dounay、David L. Gray、Longfei Xie、Christopher J. O’Donnell、Nancy C. Stratman、Kim Zoski、Elena Drummond、Gary Bora、Al Probert、Tammy Whisman

  DOI：10.1016/j.bmcl.2010.11.066

  日期：2011.1

  Compounds with combined norepinephrine reuptake inhibitor (NRI) and serotonin 1A (5-HT1A) partial agonist pharmacology may offer a new therapeutic approach for treating symptoms of neuropsychiatric disorders including ADHD, depression, and anxiety. Herein we describe the design and optimization of novel chemical matter that exhibits favorable dual NRI and 5-HT1A partial agonist activity. Lead compounds in this series were found to be devoid of activity at the dopamine transporter and were shown to be brain penetrant with high receptor occupancy. (C) 2010 Elsevier Ltd. All rights reserved.