3,6-Dimethoxy-1-methoxymethyl-2,3,4,5,6-pentamethylcyclohexa-1,4-diene | 127475-34-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3,6-Dimethoxy-1-methoxymethyl-2,3,4,5,6-pentamethylcyclohexa-1,4-diene
• 英文别名: 3,6-Dimethoxy-1-(methoxymethyl)-2,3,4,5,6-pentamethylcyclohexa-1,4-diene；3,6-dimethoxy-1-(methoxymethyl)-2,3,4,5,6-pentamethylcyclohexa-1,4-diene
• CAS: 127475-34-7；127475-35-8
• 化学式: C₁₅H₂₆O₃
• 分子量: 254.37
• InChiKey: SPLZGQCDIMUZNV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.73
• 拓扑面积：
  27.7
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  甲醇 、 六甲基苯 在 sodium methylate 作用下， 反应 2.0h， 以15%的产率得到3,6-Dimethoxy-1-methoxymethyl-2,3,4,5,6-pentamethylcyclohexa-1,4-diene
  参考文献：
  名称：

  Anodic oxidation of methylbenzenes. Synthetic routes to certain cyclohexa-1,4-dienes

  摘要：

  The anodic methoxylation of a series of methylbenzenes (mesitylene, pseudocumene, hemimellitene, pentamethylbenzene, and hexamethylbenzene) afforded chain methoxylated products as well as nuclear-addition products. For nuclear-addition products both cis/trans isomers are possible. In the cyclohexa-1,4-dienes obtained from these substrates the cis/trans ratio found is different. A probable mechanism is provided.

  DOI：

  10.1021/jo00011a042

文献信息

• Anodic oxidation of methylbenzenes. Synthetic routes to certain cyclohexa-1,4-dienes
  作者：Isidoro Barba、Rafael Chinchilla、Cecilia Gomez

  DOI：10.1021/jo00011a042

  日期：1991.5

  The anodic methoxylation of a series of methylbenzenes (mesitylene, pseudocumene, hemimellitene, pentamethylbenzene, and hexamethylbenzene) afforded chain methoxylated products as well as nuclear-addition products. For nuclear-addition products both cis/trans isomers are possible. In the cyclohexa-1,4-dienes obtained from these substrates the cis/trans ratio found is different. A probable mechanism is provided.