(3-Fluoro-4-hydroxymethyl-phenoxy)-acetic acid ethyl ester | 214554-35-5

• 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: (3-Fluoro-4-hydroxymethyl-phenoxy)-acetic acid ethyl ester
• 英文别名: Ethyl 2-[3-fluoro-4-(hydroxymethyl)phenoxy]acetate
• CAS: 214554-35-5
• 化学式: C₁₁H₁₃FO₄
• 分子量: 228.22
• InChiKey: UCZIUJULNOVNNI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  16
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  55.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  (3-Fluoro-4-hydroxymethyl-phenoxy)-acetic acid ethyl ester 在 lithium hydroxide 作用下， 以 四氢呋喃 、 甲醇 、 水 为溶剂， 生成 [Butyl-(2-oxo-2H-chromene-3-carbonyl)-amino]-acetic acid
  参考文献：
  名称：

  Fluorinated linkers for monitoring solid-phase synthesis using gel-phase 19F NMR spectroscopy

  摘要：

  Three fluorinated linkers which are analogues of linkers commonly used in solid-phase peptide synthesis have been prepared. Using F-19 NMR spectroscopy, the fluorine atom of the linker allowed monitoring of several transformations in the solid-phase synthesis of a peptoid having a coumarin moiety. Especially, attachment of the linker to the solid phase, coupling of the first building block to the linker and cleavage of the product were efficiently monitored and optimised. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01541-x
• 作为产物：
  描述：

  2-氟-4-羟基苯甲酸 在 硼酸三甲酯 、 dimethyl sulfide borane 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 生成 (3-Fluoro-4-hydroxymethyl-phenoxy)-acetic acid ethyl ester
  参考文献：
  名称：

  Fluorinated linkers for monitoring solid-phase synthesis using gel-phase 19F NMR spectroscopy

  摘要：

  Three fluorinated linkers which are analogues of linkers commonly used in solid-phase peptide synthesis have been prepared. Using F-19 NMR spectroscopy, the fluorine atom of the linker allowed monitoring of several transformations in the solid-phase synthesis of a peptoid having a coumarin moiety. Especially, attachment of the linker to the solid phase, coupling of the first building block to the linker and cleavage of the product were efficiently monitored and optimised. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)01541-x