methyl 5-cyano-6-ethoxycarbonylmethylthio-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate | 501910-21-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl 5-cyano-6-ethoxycarbonylmethylthio-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
• 英文别名: Methyl 5-cyano-6-(2-ethoxy-2-oxoethyl)sulfanyl-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
• CAS: 501910-21-0
• 化学式: C₁₉H₂₀N₂O₄S
• 分子量: 372.445
• InChiKey: VMMFSLDULGOGND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  26
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  114
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-methoxycarbonyl-5-cyano-2-methyl-4-phenyl-1,4-dihydropyridine-6-thiol piperidinium salt 、 溴乙酸乙酯 以 甲醇 为溶剂， 反应 2.0h， 以97%的产率得到methyl 5-cyano-6-ethoxycarbonylmethylthio-2-methyl-4-phenyl-1,4-dihydropyridine-3-carboxylate
  参考文献：
  名称：

  Synthesis Of 6- Alkoxycarbonylmethylsulfanyl-5-Cyano-2- Methyl-4-Phenyl-1,4-Dihydropyridine-3-Carboxylates

  摘要：

  6-Alkoxycarbonylmethylsulfanyl-5-cyano-2-methyl-4-phenyl 1,4-dihydropyridine-3-carboxylates 3 as a more lipophilic derivatives of the biologically active 6-methylsulfanyl-1,4-DHP-3-carboxylates 2 have been prepared by the alkylation of 1,4-dihydropyridine-6-thiolates 1 with alkyl bromoacetates. Reactivity of 2 with KOH/H2O was investigated.

  DOI：

  10.1515/hc.2009.15.4.297

文献信息

• Synthesis Of 6- Alkoxycarbonylmethylsulfanyl-5-Cyano-2- Methyl-4-Phenyl-1,4-Dihydropyridine-3-Carboxylates
  作者：A. Krauze、L. Sīle、L. Chernova、Z. Andzans、G. Duburs

  DOI：10.1515/hc.2009.15.4.297

  日期：2009.1

  6-Alkoxycarbonylmethylsulfanyl-5-cyano-2-methyl-4-phenyl 1,4-dihydropyridine-3-carboxylates 3 as a more lipophilic derivatives of the biologically active 6-methylsulfanyl-1,4-DHP-3-carboxylates 2 have been prepared by the alkylation of 1,4-dihydropyridine-6-thiolates 1 with alkyl bromoacetates. Reactivity of 2 with KOH/H2O was investigated.