(2-Fluoro-5-methoxy-3-methyl-phenyl)-methanol | 307975-06-0

• 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-Fluoro-5-methoxy-3-methyl-phenyl)-methanol
• 英文别名: (2-Fluoro-5-methoxy-3-methylphenyl)methanol
• CAS: 307975-06-0
• 化学式: C₉H₁₁FO₂
• mdl: MFCD11110178
• 分子量: 170.184
• InChiKey: PTAQVQVJXKOQFH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 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-Fluoro-5-methoxy-3-methyl-phenyl)-methanol 在 四溴化碳 、 sodium hydride 、 三苯基膦 、 三氟乙酸 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-{4-[1-(2-Fluoro-5-methoxy-3-methyl-benzyloxy)-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：

  4-氟-3-甲基苯甲醚 在 lithium aluminium tetrahydride 、 正丁基锂 作用下， 生成 (2-Fluoro-5-methoxy-3-methyl-phenyl)-methanol
  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

文献信息

• 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.