ethyl 2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]propanoate | 193689-64-4

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: ethyl 2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]propanoate
• CAS: 193689-64-4
• 化学式: C₁₆H₂₅NO₆S
• 分子量: 359.444
• InChiKey: ZUMVKRGNCIJFKP-UHFFFAOYSA-N

物化性质

• 沸点：
  479.3±55.0 °C(Predicted)
• 密度：
  1.192±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.46
• 重原子数：
  24.0
• 可旋转键数：
  9.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  82.14
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  ethyl 2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]propanoate 在 sodium hydroxide 、 phosphorus pentoxide 作用下， 以 1,4-二氧六环 、 1,2-二氯乙烷 为溶剂， 反应 26.0h， 生成 7,8-dimethoxy-4-methyl-3-methylsulfonyl-2,4-dihydro-1H-3-benzazepin-5-one
  参考文献：
  名称：

  Use of the Triflamide Group for Friedel-Crafts Acylation of N-(b-Phenethyl)amino Acids to 3-Benzazepine Derivatives

  摘要：

  Triflamides of N-(beta-phenethyl)amino acids (1) were treated with P2O5 under the Friedel-Crafts acylation conditions to give the 3-benzazepines in good yields. N-(beta-Phenethyl)-N-triflylvaline (If) and phenylglycine (1g) were efficiently prepared from the corresponding N-triflylamino acids and beta-phenethyl alcohol via the Mitsunobu reaction.

  DOI：

  10.3987/com-97-7803
• 作为产物：
  描述：

  N-(3,4-dimethoxyphenethyl)methanesulfonamide 、 2-溴丙酸乙酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 以81%的产率得到ethyl 2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]propanoate
  参考文献：
  名称：

  Use of the Triflamide Group for Friedel-Crafts Acylation of N-(b-Phenethyl)amino Acids to 3-Benzazepine Derivatives

  摘要：

  Triflamides of N-(beta-phenethyl)amino acids (1) were treated with P2O5 under the Friedel-Crafts acylation conditions to give the 3-benzazepines in good yields. N-(beta-Phenethyl)-N-triflylvaline (If) and phenylglycine (1g) were efficiently prepared from the corresponding N-triflylamino acids and beta-phenethyl alcohol via the Mitsunobu reaction.

  DOI：

  10.3987/com-97-7803

文献信息

• Use of the Triflamide Group for Friedel-Crafts Acylation of N-(b-Phenethyl)amino Acids to 3-Benzazepine Derivatives
  作者：Masami Kawase、Noboru Motohashi、Masayuki Niwa、Masakatsu Nozaki

  DOI：10.3987/com-97-7803

  日期：——

  Triflamides of N-(beta-phenethyl)amino acids (1) were treated with P2O5 under the Friedel-Crafts acylation conditions to give the 3-benzazepines in good yields. N-(beta-Phenethyl)-N-triflylvaline (If) and phenylglycine (1g) were efficiently prepared from the corresponding N-triflylamino acids and beta-phenethyl alcohol via the Mitsunobu reaction.