methyl 2-(3-formyl-4-((2-hydroxy-5-(2-methoxy-2-oxoethyl)benzyloxy)methoxy)phenyl)acetate | 1401071-03-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: methyl 2-(3-formyl-4-((2-hydroxy-5-(2-methoxy-2-oxoethyl)benzyloxy)methoxy)phenyl)acetate
• 英文别名: Methyl 2-[3-[[2-formyl-4-(2-methoxy-2-oxoethyl)phenoxy]methoxymethyl]-4-hydroxyphenyl]acetate
• CAS: 1401071-03-1
• 化学式: C₂₁H₂₂O₈
• 分子量: 402.401
• InChiKey: DULIGNKUMOZSON-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  29
• 可旋转键数：
  12
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  108
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-羟基苯乙酸甲酯 、 二甲基亚砜 在 2,4-二氯-6-甲氧基-1,3,5-三嗪 作用下， 反应 6.0h， 以45%的产率得到methyl 2-(3-formyl-4-((2-hydroxy-5-(2-methoxy-2-oxoethyl)benzyloxy)methoxy)phenyl)acetate
  参考文献：
  名称：

  One-Pot Formylation and Dimerization of p-Alkyl Phenols Using DCMT-Activated DMSO

  摘要：

  Dimerization and formylation of p-alkyl-substituted phenols have been successfully achieved in one pot, using 2,4-dichloro-6-methoxy[1,3,5] triazine (DCMT)-activated dimethylsulfoxide. Similarly, the d5-labeled products have been prepared in high selectivity. To the best of our knowledge, the products are of new skeletons, which have not been reported to date. A plausible mechanism is proposed based on the experiments.

  DOI：

  10.1080/00397911.2011.590916

文献信息

• One-Pot Formylation and Dimerization of p-Alkyl Phenols Using DCMT-Activated DMSO
  作者：Guobiao Chu、Zhifang Yu、Feng Gao、Chunbao Li

  DOI：10.1080/00397911.2011.590916

  日期：2013.1.1

  Dimerization and formylation of p-alkyl-substituted phenols have been successfully achieved in one pot, using 2,4-dichloro-6-methoxy[1,3,5] triazine (DCMT)-activated dimethylsulfoxide. Similarly, the d5-labeled products have been prepared in high selectivity. To the best of our knowledge, the products are of new skeletons, which have not been reported to date. A plausible mechanism is proposed based on the experiments.