(3R,7R,4aS,8aS)-3,7-diphenyl-4a-methyl,8a-ethyl-cis-perhydro-[1,4]oxazino[3,2-b]-1,4-oxazine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: (3R,7R,4aS,8aS)-3,7-diphenyl-4a-methyl,8a-ethyl-cis-perhydro-[1,4]oxazino[3,2-b]-1,4-oxazine
• 英文别名: (3R,4aR,7R,8aR)-8a-ethyl-4a-methyl-3,7-diphenyl-2,3,4,6,7,8-hexahydro-[1,4]oxazino[3,2-b][1,4]oxazine
• 化学式: C₂₁H₂₆N₂O₂
• 分子量: 338.45
• InChiKey: BTPPJTLYEWOXEF-UWHLTILDSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  42.5
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  2,3-戊二酮 、 D-苯甘氨醇 以 甲苯 为溶剂， 反应 24.0h， 以62.3%的产率得到(3R,7R,4aS,8aS)-3,7-diphenyl-4a-methyl,8a-ethyl-cis-perhydro-[1,4]oxazino[3,2-b]-1,4-oxazine
  参考文献：
  名称：

  Syntheses and Study of New 2-Hydroxy-5,6-Dihydro-2H-1,4-Oxazines by NMR and X-ray Crystallography

  摘要：

  The preparation of six new 2-hydroxy-5,6-dihydro-2H-[1,4]-oxazines and four oxazino-oxazine type structures is described. The structures of four of these compounds were established by X-ray crystallographic analyses.

  DOI：

  10.1080/00397910008086897

文献信息

• Syntheses and Study of New 2-Hydroxy-5,6-Dihydro-2H-1,4-Oxazines by NMR and X-ray Crystallography
  作者：Víctor Santes、Elizabeth Gómez、Griselda Jiménez、Rosa Santillan、Atilano Gutiérrez、Norberto Farfán

  DOI：10.1080/00397910008086897

  日期：2000.8

  The preparation of six new 2-hydroxy-5,6-dihydro-2H-[1,4]-oxazines and four oxazino-oxazine type structures is described. The structures of four of these compounds were established by X-ray crystallographic analyses.