2-(1-Chloroethyl)-2,4-diphenyl-6-(1-phenylethyl)-5,6-dihydro-5-methyl-2H-1,3-oxazine | 134133-42-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-(1-Chloroethyl)-2,4-diphenyl-6-(1-phenylethyl)-5,6-dihydro-5-methyl-2H-1,3-oxazine
• 英文别名: (2S,5R,6R)-2-(1-chloroethyl)-5-methyl-2,4-diphenyl-6-(1-phenylethyl)-5,6-dihydro-1,3-oxazine
• CAS: 134133-42-9
• 化学式: C₂₇H₂₈ClNO
• 分子量: 417.978
• InChiKey: UUOYJFNYRJKFOM-CYMDUNFESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  21.6
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  2-苯基丙醛 、 6-Chloro-3,5-diphenyl-4-aza-3,5-heptadiene 在 三氟化硼乙醚 作用下， 以 甲苯 为溶剂， 以70%的产率得到2-(1-Chloroethyl)-2,4-diphenyl-6-(1-phenylethyl)-5,6-dihydro-5-methyl-2H-1,3-oxazine
  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.