3-(1-Chloroethyl)-1,2-bis(ethoxycarbonyl)-3,5-diphenyl-1,2,3,6-tetrahydro-6-methyl-1,2,4-triazine | 127822-21-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 三嗪类
• 英文名称: 3-(1-Chloroethyl)-1,2-bis(ethoxycarbonyl)-3,5-diphenyl-1,2,3,6-tetrahydro-6-methyl-1,2,4-triazine
• 英文别名: diethyl (3S,6R)-3-[(1R)-1-chloroethyl]-6-methyl-3,5-diphenyl-6H-1,2,4-triazine-1,2-dicarboxylate
• CAS: 127822-21-3；134233-38-8；134233-39-9
• 化学式: C₂₄H₂₈ClN₃O₄
• 分子量: 457.957
• InChiKey: LBQBSPAGULRUPH-QZTZHPFYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.2
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  71.4
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-Chloro-3,5-diphenyl-4-aza-3,5-heptadiene 、 偶氮二甲酸二乙酯 以 甲苯 为溶剂， 生成 3-(1-Chloroethyl)-1,2-bis(ethoxycarbonyl)-3,5-diphenyl-1,2,3,6-tetrahydro-6-methyl-1,2,4-triazine 、 3-(1-Chloroethyl)-1,2-bis(ethoxycarbonyl)-3,5-diphenyl-1,2,3,6-tetrahydro-6-methyl-1,2,4-triazine
  参考文献：
  名称：

  Synthesis and diastereofacial selectivity in Diels-Alder reactions of halogenated 2-aza-1,3-dienes

  摘要：

  The synthesis of mono- and trihalogenated derivatives of 2-aza 1,3-dienes 2 and 3 is described. The first example of diastereofacial selectivity in Diels-Alder reactions of heterodienes of type 2 with electron-poor dienophiles is reported, and a model for the explanation of the observed epimeric ratios, based on the interactions between diene and dienophile, is proposed.

  DOI：

  10.1021/jo00014a025

文献信息

• Synthesis and diastereofacial selectivity in Diels-Alder reactions of halogenated 2-aza-1,3-dienes
  作者：Jose Barluenga、Francisco Javier Gonzalez、Santos Fustero、Santiago Garcia-Granda、Enrique Perez-Carreno

  DOI：10.1021/jo00014a025

  日期：1991.7

  The synthesis of mono- and trihalogenated derivatives of 2-aza 1,3-dienes 2 and 3 is described. The first example of diastereofacial selectivity in Diels-Alder reactions of heterodienes of type 2 with electron-poor dienophiles is reported, and a model for the explanation of the observed epimeric ratios, based on the interactions between diene and dienophile, is proposed.