11-bromo-2-methyl-2,3-dihydro-1H-4-oxa-2-aza-benzo[c]phenanthrene | 1381799-95-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 11-bromo-2-methyl-2,3-dihydro-1H-4-oxa-2-aza-benzo[c]phenanthrene
• CAS: 1381799-95-6
• 化学式: C₂₃H₁₈BrNO
• 分子量: 404.306
• InChiKey: XFOINLKTAXNTPH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.11
• 重原子数：
  26.0
• 可旋转键数：
  2.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  12.47
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  聚合甲醛 、 3-bromo-6-hydroxyphenanthrene 、 苄胺 反应 24.5h， 以75%的产率得到11-bromo-2-methyl-2,3-dihydro-1H-4-oxa-2-aza-benzo[c]phenanthrene
  参考文献：
  名称：

  Synthesis of Chiral Helical 1,3-Oxazines

  摘要：

  A series of novel 1,3-oxazines were prepared to construct a helical framework. The 1,3-oxazine attached to the phenanthrene unit showed a small bite angle theta (similar to 12 degrees), while the units attached to [4]helicene showed a larger theta (similar to 35 degrees) and exhibited helical isomers at ambient conditions. The diastereomers of the third type of helicene-like bis-oxazine attached to binaphthyl were easily separable and showed good thermal stability. All four diastereomers of bis-helicene were synthesized, and their absolute configuration was established.

  DOI：

  10.1021/ol301267r