α-acetoxymethylbenzyl 2-hydroxy-4-methoxyphenyl ketone | 92714-95-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: α-acetoxymethylbenzyl 2-hydroxy-4-methoxyphenyl ketone
• 英文别名: 3-acetoxy-1-(2'-hydroxy-4'-methoxyphenyl)-2-phenylpropanone；3-(2-Hydroxy-4-methoxyphenyl)-3-oxo-2-phenylpropyl acetate；[3-(2-hydroxy-4-methoxyphenyl)-3-oxo-2-phenylpropyl] acetate
• CAS: 92714-95-9
• 化学式: C₁₈H₁₈O₅
• 分子量: 314.338
• InChiKey: RPGPOSBDORAKJT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  23
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.22
• 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：

  α-acetoxymethylbenzyl 2-hydroxy-4-methoxyphenyl ketone 在 盐酸 作用下， 以 乙醇 为溶剂， 生成 α-chloromethylbenzyl 2-hydroxy-4-methoxyphenyl ketone
  参考文献：
  名称：

  Jain, A. C.; Sharma, Anita, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 5, p. 451 - 452

  摘要：

  DOI：
• 作为产物：
  描述：

  1-(2-羟基-4-甲氧基苯基)-2-苯乙酮 在 potassium carbonate 作用下， 以 丙酮 为溶剂， 反应 20.5h， 生成 α-acetoxymethylbenzyl 2-hydroxy-4-methoxyphenyl ketone
  参考文献：
  名称：

  Jain, Amolak C.; Mehta, Anita, Journal of the Chemical Society. Perkin transactions I, 1986, p. 215 - 220

  摘要：

  DOI：

文献信息

• Enzyme-Catalyzed Chemoselective Transesterification Reactions on Hydroxymethylated Phenolic Compounds
  作者：Virinder S. Parmar、Ashok K. Prasad、Hari N. Pati、Rajesh Kumar、Abul Azim、Sucharita Roy、William Errington

  DOI：10.1006/bioo.1998.1117

  日期：1999.4

  The chemoselective capabilities of porcine pancreatic lipase (PPL) in tetrahydrofuran and Candida rugosa lipase (CRL) in diisopropyl ether have been investigated for selective acetylation and deacetylation of hydroxymethylated phenols and hydroxyaryl alkyl ketones and their peracetylated derivatives. Both PPL and CRL exhibited exclusive selectivity for the acetylation of alcoholic hydroxyl group over the phenolic hydroxyl group(s) of the hydroxymethylated phenols 1-5 and aryl alkyl ketones 6-9, and for the deacetylation of ester group involving the phenolic hydroxyl group over the ester group involving alcoholic hydroxyl of the peracetates 19-24. The preliminary results indicate that this strategy of chemoselective acetylation can also be used in the enantiomeric resolution of racemic ketones 6-9. Single crystal X-ray diffraction studies have confirmed the structures of compounds 4, 15, and 17. (C) 1999 Academic Press.
• JAIN, A. C.;SHARMA, ANITA, INDIAN J. CHEM., 1984, 23, N 5, 451-452
  作者：JAIN, A. C.、SHARMA, ANITA

  DOI：——

  日期：——
• Jain, Amolak C.; Mehta, Anita, Journal of the Chemical Society. Perkin transactions I, 1986, p. 215 - 220
  作者：Jain, Amolak C.、Mehta, Anita

  DOI：——

  日期：——
• Jain, A. C.; Sharma, Anita, Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 1984, vol. 23, # 5, p. 451 - 452
  作者：Jain, A. C.、Sharma, Anita

  DOI：——

  日期：——