4-(2-chlorophenyl)-1,4-dihydro-3-ethoxycarbonyl-6-methyl-2-<4-(2-methylimidazo<4,5-c>pyrid-1-yl)phenyl>pyridine-5-methoxycarbonylpropylcarboxylate | 143871-14-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 4-(2-chlorophenyl)-1,4-dihydro-3-ethoxycarbonyl-6-methyl-2-<4-(2-methylimidazo<4,5-c>pyrid-1-yl)phenyl>pyridine-5-methoxycarbonylpropylcarboxylate
• 英文别名: 5-O-ethyl 3-O-(4-methoxy-4-oxobutyl) 4-(2-chlorophenyl)-2-methyl-6-[4-(2-methylimidazo[4,5-c]pyridin-1-yl)phenyl]-1,4-dihydropyridine-3,5-dicarboxylate
• CAS: 143871-14-1
• 化学式: C₃₄H₃₃ClN₄O₆
• 分子量: 629.112
• InChiKey: TXVNDFLVBDQKFZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  45
• 可旋转键数：
  13
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  4-羟基丁酸甲酯 在 乙酸铵 、 溶剂黄146 作用下， 以 甲醇 、 甲苯 为溶剂， 反应 54.5h， 生成 4-(2-chlorophenyl)-1,4-dihydro-3-ethoxycarbonyl-6-methyl-2-<4-(2-methylimidazo<4,5-c>pyrid-1-yl)phenyl>pyridine-5-methoxycarbonylpropylcarboxylate
  参考文献：
  名称：

  An optically pure 1,4-dihydropyridine from a resolution catalysed by rabbit liver esterase

  摘要：

  The kinetic resolution of a precursor ef the dihydropyridine UK-74,505, 1, an antagonist of platelet activating factor, is described, in which rabbit liver esterase was used to catalyse the hydrolysis of an ester function linked to the chiral centre via a spacer arm of appropriate length.

  DOI：

  10.1016/s0957-4166(00)80520-0

文献信息

• An optically pure 1,4-dihydropyridine from a resolution catalysed by rabbit liver esterase
  作者：Christopher D. Reeve、David H.G. Crout、Kelvin Cooper、M.Jonathon Fray

  DOI：10.1016/s0957-4166(00)80520-0

  日期：1992.6

  The kinetic resolution of a precursor ef the dihydropyridine UK-74,505, 1, an antagonist of platelet activating factor, is described, in which rabbit liver esterase was used to catalyse the hydrolysis of an ester function linked to the chiral centre via a spacer arm of appropriate length.