tert-butyl 3-(3-carboxymethyl-2-methoxy-6-methylphenyl)propionate | 137645-04-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: tert-butyl 3-(3-carboxymethyl-2-methoxy-6-methylphenyl)propionate
• 英文别名: tert-butyl 3-[3-(2-ethoxy-2-oxoethyl)-2-methoxy-6-methylphenyl]propanoate
• CAS: 137645-04-6
• 化学式: C₁₉H₂₈O₅
• 分子量: 336.428
• InChiKey: SELUFFKHLOOBNY-UHFFFAOYSA-N

物化性质

• 沸点：
  409.7±40.0 °C(Predicted)
• 密度：
  1.058±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.38
• 重原子数：
  24.0
• 可旋转键数：
  7.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  61.83
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tert-butyl 3-(3-carboxymethyl-2-methoxy-6-methylphenyl)propionate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 以100%的产率得到3-(3-carboxymethyl-2-methoxy-6-methylphenyl)propionic acid
  参考文献：
  名称：

  Pseudoguaianolides from intramolecular cycloadditions of aryl diazoketones: synthesis of (±)-confertin and an approach to the synthesis of (±)-damsin

  摘要：

  Rhodium(II) mandelate-catalysed cyclisation of alpha-diazoketones derived from 3-arylpropionic acids produces bicyclo[5.3.0]decatrienones, one of which has been used to synthesise an advanced (+/-)-confertin intermediate in six stages and 20% overall yield. The possibility of constructing intermediates for the synthesis of damsin-like pseudoguaianolides via catalysed diazoketone cyclisation is also examined and methods for the construction of polyfunctional 3-arylpropionic acids suitable for use as damsin precursors are presented.

  DOI：

  10.1039/p19910002565
• 作为产物：
  描述：

  3-溴-6-羟基-2-甲基苯甲醛 在 platinum(IV) oxide 氢气 、 四氯化锡 、 镍 作用下， 以 乙醚 、 苯 为溶剂， 反应 5.5h， 生成 tert-butyl 3-(3-carboxymethyl-2-methoxy-6-methylphenyl)propionate
  参考文献：
  名称：

  Pseudoguaianolides from intramolecular cycloadditions of aryl diazoketones: synthesis of (±)-confertin and an approach to the synthesis of (±)-damsin

  摘要：

  Rhodium(II) mandelate-catalysed cyclisation of alpha-diazoketones derived from 3-arylpropionic acids produces bicyclo[5.3.0]decatrienones, one of which has been used to synthesise an advanced (+/-)-confertin intermediate in six stages and 20% overall yield. The possibility of constructing intermediates for the synthesis of damsin-like pseudoguaianolides via catalysed diazoketone cyclisation is also examined and methods for the construction of polyfunctional 3-arylpropionic acids suitable for use as damsin precursors are presented.

  DOI：

  10.1039/p19910002565