1-(4-Methoxy-phenyl)-7-oxa-bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester | 20842-13-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 1-(4-Methoxy-phenyl)-7-oxa-bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester
• 英文别名: 1-(4-Methoxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester；dimethyl 1-(4-methoxyphenyl)-7-oxabicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylate
• CAS: 20842-13-1
• 化学式: C₁₇H₁₆O₆
• 分子量: 316.31
• InChiKey: FZIWRTKVHSYYOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-(4-Methoxy-phenyl)-7-oxa-bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester 在 palladium on activated charcoal 氢气 作用下， 以 丙酮 为溶剂， 以99%的产率得到dimethyl 3-(p-anisyl)-3,6-endoxotetrahydro-4,5-phthalate
  参考文献：
  名称：

  2-芳基-3,4-双（羰甲氧基）呋喃的合成及亲电取代反应

  摘要：

  DOI：

  10.1007/bf00503545
• 作为产物：
  描述：

  (8CI)-2-(p-甲氧基苯基)-呋喃 、 丁炔二酸二甲酯 在 zinc(II) iodide 作用下， 以 二氯甲烷 为溶剂， 生成 dimethyl 3-hydroxy-6-(4-methoxyphenyl)phthalate 、 1-(4-Methoxy-phenyl)-7-oxa-bicyclo[2.2.1]hepta-2,5-diene-2,3-dicarboxylic acid dimethyl ester
  参考文献：
  名称：

  Synthesis and Spectrokinetic Studies of a New Family of Dimethyl [2H]-Chromenes: Dimethyl 6-Aryl-2,2Dimethyl-[2H]-Chromene-7,8-Dicarboxylates

  摘要：

  The synthesis of a series of dimethyl 6-aryl-2,2-dimethyl-[2H]-chromene-7,8-dicarboxylates is described. The photochromic properties of this new family of dimethyl-[2H]-chromenes have been studied in solution, under continuous irradiation. The presence of the methoxycarbonyl groups was shown to stabilise the coloured forms. The fading rates are generally low in comparison with the standard "naked" chromenes in the same experimental conditions. This stabilisation depends on the solvent used. We could observe the presence of one permanent opened form. Moreover, it seems that the synthesised molecules have a strong resistance toward photodegradation.

  DOI：

  10.1080/10587250008023846