2-[(4,6-dimethylpyrimidin-2-yl)thio]methyl-3,5-dicarboethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine

• 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: 2-[(4,6-dimethylpyrimidin-2-yl)thio]methyl-3,5-dicarboethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine
• 英文别名: Diethyl 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• 化学式: C₂₅H₂₈N₄O₆S
• 分子量: 512.587
• InChiKey: NBCAYSXSOZUESR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  36
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  162
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4,6-二甲基-2-巯基嘧啶 、 2-bromomethyl-3,5-dicarboethoxy-4-(3-nitrophenyl)-6-methyl-1,4-dihydropyridine 以 乙醇 为溶剂， 反应 0.5h， 以80%的产率得到2-[(4,6-dimethylpyrimidin-2-yl)thio]methyl-3,5-dicarboethoxy-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine
  参考文献：
  名称：

  Synthesis of Novel Asymmetrical 1,4‐Dihydropyridine Derivatives

  摘要：

  Asymmetrical 1,4-dihydropyridine esters 3a and 3i-k were synthesized from the symmetrical precursor 1 through the intermediate 2-bromomethyl derivative 2. Then, compound 3a was subjected to a different transformation for preparation of 1,4-dihydropyridine derivatives 3b-h.

  DOI：

  10.1080/00397910500297305

文献信息

• Synthesis of Novel Asymmetrical 1,4‐Dihydropyridine Derivatives
  作者：Adeleh Moshtaghi Zenouz、Mina Raisossadat Oskuie、Shirin Mollazadeh

  DOI：10.1080/00397910500297305

  日期：2005.11

  Asymmetrical 1,4-dihydropyridine esters 3a and 3i-k were synthesized from the symmetrical precursor 1 through the intermediate 2-bromomethyl derivative 2. Then, compound 3a was subjected to a different transformation for preparation of 1,4-dihydropyridine derivatives 3b-h.