2-氟-3-甲氧基-5-甲基苯酚 | 447462-92-2

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 中文名称: 2-氟-3-甲氧基-5-甲基苯酚
• 英文名称: 2-fluoro-3-methoxy-5-methylphenol
• CAS: 447462-92-2
• 化学式: C₈H₉FO₂
• mdl: MFCD11110187
• 分子量: 156.157
• InChiKey: JRUPKKUMCQAMGW-UHFFFAOYSA-N

物化性质

• 沸点：
  248.3±35.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 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-氟-3-甲氧基-5-甲基苯酚 在 sodium hydride 、 potassium carbonate 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-(4-{1-[(E)-4-(2-Fluoro-3-methoxy-5-methyl-phenoxy)-but-2-enyloxy]-ethyl}-2-methoxy-5-nitro-phenoxy)-propylamine
  参考文献：
  名称：

  Discovery of selective metal-binding peptoids using 19F encoded combinatorial libraries

  摘要：

  A method for encoding solid-phase split/mix combinatorial libraries using the chemical shift of synthetic fluoroarenes ('F-codes') has been developed. They have wide chemical shift dispersion and are detectable at the sub-mu mol level. F-19 NMR is used for decoding. Nine fluoroarenes bearing linkers for attachment to solid-phase synthesis supports through a photocleavable group were prepared. A library of 90 N-alkylglycines bearings substituted succinamides was prepared on solid phase from nine amines, in which the amine is encoded by the fluorinated tag, and 10 anhydrides. Metal binding studies followed by decoding identified unique, specific binders of copper(II) and iron(III) with mu M K(D)s. (C) 2000 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(00)00416-9
• 作为产物：
  描述：

  3-甲氧基-5-甲基-[1,2]苯醌 在 sodium tetrahydroborate 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 [双(2-甲氧基乙基)胺]三氟化硫 作用下， 以 乙醇 、 氯仿 为溶剂， 生成 2-氟-3-甲氧基-5-甲基苯酚
  参考文献：
  名称：

  Nucleophilic Deoxyfluorination of Catechols

  摘要：

  Nucleophilic deoxyfluorinalton of one of the two hydroxyl groups of catechols has been developed via the Umpolung concept. This method was successively applied to naturally occurring catechols, such as catechins and dopamine, to produce novel fluorinated analogues.

  DOI：

  10.1021/ol200808q

文献信息

• [EN] METHOD FOR PRODUCING AROMATIC FLUORINE COMPOUND AND NOVEL COMPOUND<br/>[FR] PROCÉDÉ DE PRODUCTION DE COMPOSÉ FLUORÉ AROMATIQUE ET NOUVEAU COMPOSÉ
  申请人：SHIZUOKA PREFECTURE PUBLIC UNIVERSITY CORP

  公开号：WO2010134580A1

  公开（公告）日：2010-11-25

  　【課題】　芳香族フッ素化合物を製造する従来法では、有毒な水銀や錫を使用するために、最終化合物にこれら有毒金属が含まれる危険性があり、医薬品や検査薬としては使用できない。これらの有毒金属が含まれる危険性がなく、緩和な条件で収率良く芳香族フルオロ化合物に変換する方法の開発が求められている。【解決手段】　フェノール性水酸基を持つ化合物を酸化してオキソ化合物としオキソ化合物にフッ素化剤を反応させ、還元することによりフェノール基をフルオロ基に変換した芳香族フッ素化合物が製造できる。有毒金属が含まれる危険性がなく、かつ、反応条件は緩和で、収率も良好である。
• [EN] CATECHIN COMPOUND AND USE THEREOF<br/>[FR] COMPOSÉ DE CATÉCHINE ET SON UTILISATION<br/>[KO] 카테킨계 화합물 및 이의 용도
  申请人：ELCUBIO CO LTD

  公开号：WO2020032744A1

  公开（公告）日：2020-02-13

  본 발명은 카테킨계 화합물 또는 이의 약학적으로 허용가능한 염 및 이의 용도에 관한 것으로, 본 발명의 카테킨계 화합물 또는 이의 약학적으로 허용가능항 염은 상처, 특히 말초 궤양의 치료에 매우 효과적이다.
• Nucleophilic Deoxyfluorination of Catechols
  作者：Hiroyuki Nemoto、Tsuyoshi Nishiyama、Shuji Akai

  DOI：10.1021/ol200808q

  日期：2011.5.20

  Nucleophilic deoxyfluorinalton of one of the two hydroxyl groups of catechols has been developed via the Umpolung concept. This method was successively applied to naturally occurring catechols, such as catechins and dopamine, to produce novel fluorinated analogues.
• Discovery of selective metal-binding peptoids using 19F encoded combinatorial libraries
  作者：Michael C Pirrung、Kaapjoo Park

  DOI：10.1016/s0960-894x(00)00416-9

  日期：2000.9

  A method for encoding solid-phase split/mix combinatorial libraries using the chemical shift of synthetic fluoroarenes ('F-codes') has been developed. They have wide chemical shift dispersion and are detectable at the sub-mu mol level. F-19 NMR is used for decoding. Nine fluoroarenes bearing linkers for attachment to solid-phase synthesis supports through a photocleavable group were prepared. A library of 90 N-alkylglycines bearings substituted succinamides was prepared on solid phase from nine amines, in which the amine is encoded by the fluorinated tag, and 10 anhydrides. Metal binding studies followed by decoding identified unique, specific binders of copper(II) and iron(III) with mu M K(D)s. (C) 2000 Elsevier Science Ltd. All rights reserved.