2-[2-(3-hydroxybutyl)phenyl]ethanoic acid | 910661-52-8

• 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-(3-hydroxybutyl)phenyl]ethanoic acid
• 英文别名: 2-[2-(3-Hydroxybutyl)phenyl]acetic acid；2-[2-(3-hydroxybutyl)phenyl]acetic acid
• CAS: 910661-52-8
• 化学式: C₁₂H₁₆O₃
• 分子量: 208.257
• InChiKey: GFCZBDWLENGSHA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  15
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-[2-(3-hydroxybutyl)phenyl]ethanoic acid 在 4-硝基苯甲酸酐 、 scandium tris(trifluoromethanesulfonate) 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 20.0h， 以53%的产率得到2-[2-(3-hydroxybutyl)phenyl]ethanoic acid ζ-lactone
  参考文献：
  名称：

  Access to a new family of medium ring aromatic lactones

  摘要：

  We report a new method for preparation of hydroxyacids as precursors of benzolactones using a simple and an efficient electrochemical step. This gives in only four steps six- to eleven-membered lactones with high isolated yields from conveniently substituted aryl bromides. The lactonisation was performed according to the Yamamoto's process. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.06.071
• 作为产物：
  描述：

  Alpha-溴苯乙酸乙酯 在 吡啶 、 氢氧化钾 、 sodium tetrahydroborate 、 nickel dibromide 作用下， 以 1,4-二氧六环 、 甲醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 19.0h， 生成 2-[2-(3-hydroxybutyl)phenyl]ethanoic acid
  参考文献：
  名称：

  Access to a new family of medium ring aromatic lactones

  摘要：

  We report a new method for preparation of hydroxyacids as precursors of benzolactones using a simple and an efficient electrochemical step. This gives in only four steps six- to eleven-membered lactones with high isolated yields from conveniently substituted aryl bromides. The lactonisation was performed according to the Yamamoto's process. (c) 2006 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2006.06.071

文献信息

• Access to a new family of medium ring aromatic lactones
  作者：Estelle Métay、Eric Léonel、Sylvie Condon、Jean-Yves Nédélec

  DOI：10.1016/j.tet.2006.06.071

  日期：2006.9

  We report a new method for preparation of hydroxyacids as precursors of benzolactones using a simple and an efficient electrochemical step. This gives in only four steps six- to eleven-membered lactones with high isolated yields from conveniently substituted aryl bromides. The lactonisation was performed according to the Yamamoto's process. (c) 2006 Elsevier Ltd. All rights reserved.