2,2-dimethyl-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one | 381242-39-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 2,2-dimethyl-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
• 英文别名: ZINC00128665；2,2-Dimethyl-2,3,5,6-tetrahydro-1h-benzo[a]-phenanthridin-4-one；2,2-dimethyl-1,3,5,6-tetrahydrobenzo[a]phenanthridin-4-one
• CAS: 381242-39-3
• 化学式: C₁₉H₁₉NO
• 分子量: 277.366
• InChiKey: PPDGDYXNGBQWKT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2,2-dimethyl-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one 在 哌啶 、 sulfur 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 以75%的产率得到2,2-dimethyl-1,2,3,4-tetrahydrobenzphenanthridin-4-one
  参考文献：
  名称：

  摘要：

  2-Methyleneaminonaphthalene smoothly reacts with cyclic beta-diketones to afford azaphenanthrene derivatives in high yield. The dihydropyridine ring in the products can be oxidized to pyridine ring. The oxidation products, unlike their precursors and analogs having an aryl substituent in the a-position with respect to the nitrogen atom, react with hydroxylamine at the carbonyl group to give the corresponding oximes and in some cases undergo Knoevenagel condensation with malononitrile. Hydrolysis of the condensation product yields the respective diamide.

  DOI：

  10.1023/a:1015375313521
• 作为产物：
  描述：

  聚合甲醛 、 5,5-二甲基-1,3-环己二酮 、 2-萘胺 在 sodium hydroxide 作用下， 以 乙醇 为溶剂， 以70%的产率得到2,2-dimethyl-2,3,5,6-tetrahydro-1H-benzo[a]phenanthridin-4-one
  参考文献：
  名称：

  摘要：

  2-Methyleneaminonaphthalene smoothly reacts with cyclic beta-diketones to afford azaphenanthrene derivatives in high yield. The dihydropyridine ring in the products can be oxidized to pyridine ring. The oxidation products, unlike their precursors and analogs having an aryl substituent in the a-position with respect to the nitrogen atom, react with hydroxylamine at the carbonyl group to give the corresponding oximes and in some cases undergo Knoevenagel condensation with malononitrile. Hydrolysis of the condensation product yields the respective diamide.

  DOI：

  10.1023/a:1015375313521

文献信息

• COMPOSITIONS AND METHODS FOR INHIBITING NOROVIRUS INFECTION
  申请人：Children's Hospital Medical Center

  公开号：US20160193229A1

  公开（公告）日：2016-07-07

  A composition for use in inhibiting the binding of a Norovirus to the histo-blood group antigen on the surface of epithelia is disclosed. The composition may contain a therapeutically effective amount of a binding-inhibiting compound and a carrier and/or excipient. The compounds may competitively bind a Norovirus that has the capability of binding with the histo-blood group antigens of secretor blood type, including A, B, AB, and O blood types. The compositions may be administered to a human prior to or after infection by a Norovirus, to prevent, ameliorate, or reduce the effects of an infection.
• US9321803B2
  申请人：——

  公开号：US9321803B2

  公开（公告）日：2016-04-26
• US9561239B2
  申请人：——

  公开号：US9561239B2

  公开（公告）日：2017-02-07