3-乙酰氧基-5-羟基苯甲酸乙酯 | 109844-89-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 3-乙酰氧基-5-羟基苯甲酸乙酯
• 英文名称: ethyl 3-acetoxy-5-hydroxybenzoate
• 英文别名: 3-acetoxy-5-hydroxy-benzoic acid ethyl ester；3-Acetoxy-5-hydroxy-benzoesaeure-aethylester；Ethyl 3-acetyloxy-5-hydroxybenzoate；ethyl 3-acetyloxy-5-hydroxybenzoate
• CAS: 109844-89-5
• 化学式: C₁₁H₁₂O₅
• 分子量: 224.213
• InChiKey: HPNDEDUNDMYLQI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  72.8
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-乙酰氧基-5-羟基苯甲酸乙酯 、 2,3,4,6-四乙酰氧基-alpha-D-吡喃葡萄糖溴化物 在 喹啉 、 silver(l) oxide 作用下， 生成 3-acetoxy-5-(tetra-O-acetyl-β-D-glucopyranosyloxy)-benzoic acid ethyl ester
  参考文献：
  名称：

  [酚糖苷。13.各种α-间苯二酸酯的β-D-吡喃葡萄糖苷的合成]。

  摘要：

  DOI：

  10.1002/ardp.19592920603
• 作为产物：
  描述：

  3,5-二羟基苯甲酸 在 Candida cylindracea lipase 、 硫酸 作用下， 以 异丙醚 、 正丁醇 为溶剂， 反应 3.0h， 生成 3-乙酰氧基-5-羟基苯甲酸乙酯
  参考文献：
  名称：

  Novel chemoselective de-esterification of esters of polyacetoxy aromatic acids by lipases

  摘要：

  Candida cylindracea lipase (CCL) and porcine pancreatic lipase (PPL) have been used for deacetylation of peracetates of methyl and ethyl esters of six different polyphenolic acids in organic solvents. Exclusive de-esterification of the ester groups derived from the phenolic hydroxy and aliphatic acid over the ester group of the aromatic acid and aliphatic alcohol has been achieved affording the corresponding esters of phenolic acids in as high yields as 90-97%. The results have been corroborated with the mechanism of lipase action. (C) 1997, Elsevier Science Ltd.

  DOI：

  10.1016/s0040-4020(96)01118-0

文献信息

• Novel chemoselective de-esterification of esters of polyacetoxy aromatic acids by lipases
  作者：Virinder S. Parmar、Ajay Kumar、Kirpal S. Bisht、Shubhasish Mukherjee、Ashok K. Prasad、Sunil K. Sharma、Jesper Wengel、Carl E. Olsen

  DOI：10.1016/s0040-4020(96)01118-0

  日期：1997.2

  Candida cylindracea lipase (CCL) and porcine pancreatic lipase (PPL) have been used for deacetylation of peracetates of methyl and ethyl esters of six different polyphenolic acids in organic solvents. Exclusive de-esterification of the ester groups derived from the phenolic hydroxy and aliphatic acid over the ester group of the aromatic acid and aliphatic alcohol has been achieved affording the corresponding esters of phenolic acids in as high yields as 90-97%. The results have been corroborated with the mechanism of lipase action. (C) 1997, Elsevier Science Ltd.
• Über die Synthese von β-D-Glucopyranosiden verschiedener α-Resorcylsäureester Mitteilung:„Über Phenolglykoside”
  作者：Günther Wagner

  DOI：10.1002/ardp.19592920603

  日期：——