3-formylyl-2-methyl-8-methoxy-2H-chromene | 57543-46-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂醛
• 英文名称: 3-formylyl-2-methyl-8-methoxy-2H-chromene
• 英文别名: 3-Formyl-6-methoxy-2-methyl-Δ³-chromen；6-Methoxy-2-methyl-2H-1-benzopyran-3-carboxaldehyde；6-methoxy-2-methyl-2H-chromene-3-carbaldehyde
• CAS: 57543-46-1
• 化学式: C₁₂H₁₂O₃
• 分子量: 204.225
• InChiKey: NQNNNUPVYISRMK-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：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  2-羟基-4-甲氧基苯甲醛 、 丁烯-2-醛 在 α -Amylase from Bacillus subtilis 作用下， 以 水 、 二甲基亚砜 为溶剂， 反应 48.0h， 以58%的产率得到3-formylyl-2-methyl-8-methoxy-2H-chromene
  参考文献：
  名称：

  Catalytical promiscuity of α-amylase: Synthesis of 3-substituted 2H-chromene derivatives via biocatalytic domino oxa-Michael/aldol condensations

  摘要：

  An facile and green one-pot route has been developed for the synthesis of chromenes using salicylaldehyde and alpha,beta-unsaturated ketones. alpha-Amylase from Bacillus subtilis shows excellent catalytic activity and exerts good adaptability to different substrates in the reaction. This promiscuous enzyme-catalyzed domino reaction not only extends the application of alpha-amylase from B. subtilis for new chemical transformations, but also provided an alternative synthetic method for 2H-chromene derivatives. (c) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molcatb.2013.02.001

文献信息

• Catalytical promiscuity of α-amylase: Synthesis of 3-substituted 2H-chromene derivatives via biocatalytic domino oxa-Michael/aldol condensations
  作者：Long-Hua Zhou、Na Wang、Wei Zhang、Zong-Bo Xie、Xiao-Qi Yu

  DOI：10.1016/j.molcatb.2013.02.001

  日期：2013.7

  An facile and green one-pot route has been developed for the synthesis of chromenes using salicylaldehyde and alpha,beta-unsaturated ketones. alpha-Amylase from Bacillus subtilis shows excellent catalytic activity and exerts good adaptability to different substrates in the reaction. This promiscuous enzyme-catalyzed domino reaction not only extends the application of alpha-amylase from B. subtilis for new chemical transformations, but also provided an alternative synthetic method for 2H-chromene derivatives. (c) 2013 Elsevier B.V. All rights reserved.