N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2,2-trimethylpropanamide | 201138-45-6

• 英文名称: N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2,2-trimethylpropanamide
• CAS: 201138-45-6
• 化学式: C₁₅H₂₁NO₃
• 分子量: 263.337
• InChiKey: HDTLYQJHLIHDCQ-UHFFFAOYSA-N

物化性质

• 沸点：
  413.0±25.0 °C(Predicted)
• 密度：
  1.059±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.47
• 拓扑面积：
  46.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  二硫化碳 、 1,2-二溴乙烷 、 N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2,2-trimethylpropanamide 在 sodium hydride 作用下， 生成 N-[1-(1,3-dithiolan-2-ylidene)-2-(4-methoxyphenyl)-2-oxoethyl]-N,2,2-trimethylpropanamide
  参考文献：
  名称：

  SYNTHESIS OF ACYLAMIDO KETENE DITHIOACETALS AND 5-OXO-4,5-DIHYDROBENZO[F]-1,4-THIAZEPINE-DERIVATIVES BY DITHIOCARBOXYLATION OF α-AZA-C-NUCLEOPHILES

  摘要：

  N-acceptor methyl substituted 2,2,N-trimethyl-propionamides (1 acc-group = p-MeOC6H4CO-, 2 acc-group = COOMe) afford in the procedure of dithiocarboxylation 3,3-[bis(alkylthio)]-prop-2-ene-1-ones 4a-c and methyl 3,3-[bis(alkylthio)]-acrylates 5a-c, respectively. 2-Chloro- or 2,4-dichloro-N-cyanomethyl-N-methyl-benzamide 3a,b form in the reaction with carbon disulfide at lower temperature 3,3-bis(methylthio)-acrylonitriles 7a,b whereas 2-alkylthio-4-methyl-5-oxo-4,5-dihydrobenzo[f]-1,4-thiazepine-3-carbonitriles 8a-c are obtained at higher temperatures.

  DOI：

  10.1080/10426509708043496
• 作为产物：
  描述：

  1-(4-methoxy-phenyl)-2-methylamino-ethanone hydrochloride 、 三甲基乙酰氯 在 sodium hydroxide 作用下， 以 甲苯 为溶剂， 反应 1.0h， 以84%的产率得到N-[2-(4-methoxyphenyl)-2-oxoethyl]-N,2,2-trimethylpropanamide
  参考文献：
  名称：

  SYNTHESIS OF ACYLAMIDO KETENE DITHIOACETALS AND 5-OXO-4,5-DIHYDROBENZO[F]-1,4-THIAZEPINE-DERIVATIVES BY DITHIOCARBOXYLATION OF α-AZA-C-NUCLEOPHILES

  摘要：

  N-acceptor methyl substituted 2,2,N-trimethyl-propionamides (1 acc-group = p-MeOC6H4CO-, 2 acc-group = COOMe) afford in the procedure of dithiocarboxylation 3,3-[bis(alkylthio)]-prop-2-ene-1-ones 4a-c and methyl 3,3-[bis(alkylthio)]-acrylates 5a-c, respectively. 2-Chloro- or 2,4-dichloro-N-cyanomethyl-N-methyl-benzamide 3a,b form in the reaction with carbon disulfide at lower temperature 3,3-bis(methylthio)-acrylonitriles 7a,b whereas 2-alkylthio-4-methyl-5-oxo-4,5-dihydrobenzo[f]-1,4-thiazepine-3-carbonitriles 8a-c are obtained at higher temperatures.

  DOI：

  10.1080/10426509708043496