[allyl-2,3-(3)H]-MN-92019

• 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: [allyl-2,3-(3)H]-MN-92019
• 英文别名: 5-O-(2,3-ditritiopropyl) 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
• 化学式: C₁₉H₂₂N₂O₆
• 分子量: 378.378
• InChiKey: UXLPJZGKAQRVTA-NAMLXICXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  27
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.37
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  乙酰乙酸烯丙酯 在 palladium on activated charcoal 氨 、 氢气 作用下， 以 乙醇 、 乙酸乙酯 为溶剂， 5.0 ℃ 、66.0 kPa 条件下， 反应 30.0h， 生成 [allyl-2,3-(3)H]-MN-92019
  参考文献：
  名称：

  Synthesis of [allyl-2,3-3H]-MN-9201

  摘要：

  Key step of the synthesis of calcium antagonist MN-9201 was the cyclizing addition of the allyl-3-amino-crotonate onto methyl 2-[(3-nitrophenyl) methylene]-3-oxobutanoate. It was then used to synthesize [Allyl-2,3-H-3]-MN-9201 by the catalytic addition of tritium gas. Its radiochemical purity and specific activity were 98% and 2.1TBq/mmol, respectively.

  DOI：

  10.1002/(sici)1099-1344(1998090)41:9<785::aid-jlcr133>3.0.co;2-d

文献信息

• Synthesis of [allyl-2,3-3H]-MN-9201
  作者：Dezhu Wu、Wenlin Huang、Wen Wang、Qibing Mei

  DOI：10.1002/(sici)1099-1344(1998090)41:9<785::aid-jlcr133>3.0.co;2-d

  日期：1998.9

  Key step of the synthesis of calcium antagonist MN-9201 was the cyclizing addition of the allyl-3-amino-crotonate onto methyl 2-[(3-nitrophenyl) methylene]-3-oxobutanoate. It was then used to synthesize [Allyl-2,3-H-3]-MN-9201 by the catalytic addition of tritium gas. Its radiochemical purity and specific activity were 98% and 2.1TBq/mmol, respectively.