2-ethyl-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one | 1043892-16-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 英文名称: 2-ethyl-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
• 英文别名: 2-Ethyl-2-(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one；2-ethyl-2-(hydroxymethyl)-6-methoxy-3,4-dihydronaphthalen-1-one
• CAS: 1043892-16-5
• 化学式: C₁₄H₁₈O₃
• 分子量: 234.295
• InChiKey: IYRHPDIGLAGMLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  乙酸乙烯酯 、 2-ethyl-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one 在 4 A molecular sieve 作用下， 以 异丙醚 为溶剂， 反应 12.0h， 生成 2-ethyl-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one 、 2-ethyl-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one 、 acetic acid 2-ethyl-6-methoxy-1-oxo-1,2,3,4-tetrahydronaphthalen-2-ylmethyl ester
  参考文献：
  名称：

  Chemoenzymatic synthesis and resolution of compounds containing a quaternary stereocenters adjacent to a carbonyl group

  摘要：

  Racemic compounds containing a quaternary stereocenter (having hydroxymethyl and alkyl group adjacent to keto functionality) based on chromanone, alpha-tetralone, and indalone scaffolds have been synthesized. An enzymatic irreversible transesterification approach has been applied to generate the pure enantiomers in a stereocontrolled fashion. The pure enantiomers of some alpha,alpha-dialkylated carbonyl compounds have been synthesized by this method. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.04.024
• 作为产物：
  描述：

  聚合甲醛 、 2-ethyl-6-methoxy-3,4-dihydronaphthalen-1(2H)-one 在 potassium carbonate 作用下， 以 乙醇 、 水 为溶剂， 反应 1.5h， 生成 2-ethyl-2-(hydroxymethyl)-6-methoxy-3,4-dihydro-2H-naphthalen-1-one
  参考文献：
  名称：

  Chemoenzymatic synthesis and resolution of compounds containing a quaternary stereocenters adjacent to a carbonyl group

  摘要：

  Racemic compounds containing a quaternary stereocenter (having hydroxymethyl and alkyl group adjacent to keto functionality) based on chromanone, alpha-tetralone, and indalone scaffolds have been synthesized. An enzymatic irreversible transesterification approach has been applied to generate the pure enantiomers in a stereocontrolled fashion. The pure enantiomers of some alpha,alpha-dialkylated carbonyl compounds have been synthesized by this method. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetasy.2008.04.024

文献信息

• Chemoenzymatic synthesis and resolution of compounds containing a quaternary stereocenters adjacent to a carbonyl group
  作者：Tridib Mahapatra、Nandan Jana、S. Nanda

  DOI：10.1016/j.tetasy.2008.04.024

  日期：2008.5

  Racemic compounds containing a quaternary stereocenter (having hydroxymethyl and alkyl group adjacent to keto functionality) based on chromanone, alpha-tetralone, and indalone scaffolds have been synthesized. An enzymatic irreversible transesterification approach has been applied to generate the pure enantiomers in a stereocontrolled fashion. The pure enantiomers of some alpha,alpha-dialkylated carbonyl compounds have been synthesized by this method. (C) 2008 Elsevier Ltd. All rights reserved.