isopropyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate | 4221-47-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: isopropyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
• 英文别名: Propan-2-yl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate；propan-2-yl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
• CAS: 4221-47-0
• 化学式: C₂₂H₂₆BrNO₃
• 分子量: 432.357
• InChiKey: RTRJDKRKYJMMAP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  55.4
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  isopropyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  新合成的1,4-二氢吡啶基六氢喹啉衍生物的电化学研究

  摘要：

  In the present study, six newly synthesized 1,4-dihydropyiridine (DHP) derivatives (isopropyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylates) (DM1-DM6) have been studied in water/ethanol mixture (50/50 v/v) by cyclic voltammetry, choronoamperometry and differential pulse voltammetry techniques at a glassy carbon electrode. A detailed oxidation mechanism is proposed. It involves an irreversible diffusion controlled one electron process followed by a disproportionation reaction resulting in the formation of a pyridine. Kinetic and thermodynamic parameters such as charge transfer coefficient (proportional to

  DOI：

  10.1149/1945-7111/abaa6c
• 作为产物：
  描述：

  间溴苯甲醛 、 乙酰乙酸异丙酯 、 5,5-二甲基-1,3-环己二酮 在 ammonium acetate 作用下， 以 乙醇 为溶剂， 反应 8.0h， 以41%的产率得到isopropyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
  参考文献：
  名称：

  新合成的1,4-二氢吡啶基六氢喹啉衍生物的电化学研究

  摘要：

  In the present study, six newly synthesized 1,4-dihydropyiridine (DHP) derivatives (isopropyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylates) (DM1-DM6) have been studied in water/ethanol mixture (50/50 v/v) by cyclic voltammetry, choronoamperometry and differential pulse voltammetry techniques at a glassy carbon electrode. A detailed oxidation mechanism is proposed. It involves an irreversible diffusion controlled one electron process followed by a disproportionation reaction resulting in the formation of a pyridine. Kinetic and thermodynamic parameters such as charge transfer coefficient (proportional to

  DOI：

  10.1149/1945-7111/abaa6c

文献信息

• Electrochemical Studies of Newly Synthesized 1,4-Dihydropyridine-Based Hexahydroquinoline Derivatives
  作者：Zahra Tavakkoli、Hamed Goljani、Miyase Gözde Gündüz、Muhammad Nawaz Tahir、Davood Nematollahi

  DOI：10.1149/1945-7111/abaa6c

  日期：——

  In the present study, six newly synthesized 1,4-dihydropyiridine (DHP) derivatives (isopropyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylates) (DM1-DM6) have been studied in water/ethanol mixture (50/50 v/v) by cyclic voltammetry, choronoamperometry and differential pulse voltammetry techniques at a glassy carbon electrode. A detailed oxidation mechanism is proposed. It involves an irreversible diffusion controlled one electron process followed by a disproportionation reaction resulting in the formation of a pyridine. Kinetic and thermodynamic parameters such as charge transfer coefficient (proportional to