1-ethyl-6-methoxy-3-methyl-1H-1,2-diazaphenalene | 310447-14-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 1-ethyl-6-methoxy-3-methyl-1H-1,2-diazaphenalene
• 英文别名: 2-ethyl-8-methoxy-4-methyl-2,3-diazatricyclo[7.3.1.05,13]trideca-1(12),3,5(13),6,8,10-hexaene
• CAS: 310447-14-4
• 化学式: C₁₅H₁₆N₂O
• 分子量: 240.305
• InChiKey: SETXZYWAYSWZNE-UHFFFAOYSA-N

物化性质

• 沸点：
  411.6±47.0 °C(Predicted)
• 密度：
  1.15±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  24.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-ethyl-6-methoxy-3-methyl-1H-1,2-diazaphenalene 在 硝酸 作用下， 以 溶剂黄146 为溶剂， 反应 0.33h， 以23%的产率得到1-ethyl-6-methoxy-3-methyl-7,9-dinitro-1H-1,2-diazaphenalene
  参考文献：
  名称：

  3-甲基-1 H -1,2-二氮杂萘及其n-取代衍生物的硝化

  摘要：

  1-取代的1 H -1,2-二氮杂苯丙氨酸（1 H-苯并[ de ] cinnolines ）经过硝酸硝化，导致形成二硝基和三硝基衍生物。硝化产物的产率取决于硝酸浓度。

  DOI：

  10.1134/s1070428015050152
• 作为产物：
  描述：

  3-methyl-6-methoxy-1H-1,2-diazaphenalene 以20%的产率得到
  参考文献：
  名称：

  OKOLELOVA M. S.; ELISEVICH D. M.; KAZAKOV A. L.; MEZHERITSKIJ V. V.; LUKY+, PYATIG. FARMATS. IN-T, PYATIGORSK,(1987) 6 S., VINITI 15.4.87

  摘要：

  DOI：

文献信息

• Trifluoroacetylation of N-Substituted 1H-1,2-Diazaphenalenes of the Naphthalene and Acenaphthene Series
  作者：N. I. Omelichkin、L. G. Minyaeva、M. S. Korobov、G. S. Borodkin、L. G. Kuz’mina、V. V. Mezheritskii

  DOI：10.1134/s107042801901010x

  日期：2019.1

  The acylation of N-substituted 3-methyl-1H-1,2-diazaphenalenes of the naphthalene and acenaphthene series with trifluoroacetic anhydride gave mono- and diacylated products. Despite the presence of a bulky substituent on the pyrrole type nitrogen atom, the trifluoroacetyl group entered the peri position with respect to that substituent. The product structure was confirmed by X-ray analysis.

  用三氟乙酸酐对萘和系列的N-取代的3-甲基-1 H -1,2-二氮杂苯二甲酰基进行酰化，得到单和二酰化的产物。尽管在吡咯型氮原子上存在庞大的取代基，但三氟乙酰基仍相对于该取代基进入周边位置。通过X射线分析确认了产物结构。
• OKOLELOVA M. S.; ELISEVICH D. M.; KAZAKOV A. L.; MEZHERITSKIJ V. V.; LUKY+, PYATIG. FARMATS. IN-T, PYATIGORSK,(1987) 6 S., VINITI 15.4.87
  作者：OKOLELOVA M. S.、 ELISEVICH D. M.、 KAZAKOV A. L.、 MEZHERITSKIJ V. V.、 LUKY+

  DOI：——

  日期：——
• Structure of the trifluoroacetylation product of 1-ethyl-6-methoxy-3-methyl-1H-1,2-diazaphenalene
  作者：N. I. Omelichkin、L. G. Kuz’mina、L. G. Minyaeva、V. V. Mezheritskii

  DOI：10.1134/s1070428017030319

  日期：2017.3

  1-Ethyl-6-methoxy-3-methyl-1H-1,2-diazaphenalene was readily acylated with trifluoroacetic anhydride with formation of 1-ethyl-6-methoxy-3-methyl-7,9-bis(trifluoroacetyl)-1H-1,2-diazaphenalene.
• Non-Peptidic Inhibitors of AKAP/PKA Interaction
  申请人：Klussmann Enno

  公开号：US20090176773A1

  公开（公告）日：2009-07-09

  The invention relates to non-peptidic molecules which modulate, especially inhibit, the interaction of protein kinase A (PKA) and A kinase anchor proteins (AKAP) and to a host or target organism that comprises said non-peptidic compounds or recognition molecules directed to said compounds, such as e.g. antibodies or chelating agents. The invention also relates to a pharmaceutical agent, especially for use in the treatment of diseases that are associated with a disturbance of the cAMP signal path, especially insipid diabetes, hypertonia, pancreatic diabetes, duodenal ulcer, asthma, heart failure, obesity, AIDS, edema, hepatic cirrhosis, schizophrenia and others. The invention also relates to the use of the inventive molecules.
• Nitration of 3-methyl-1H-1,2-diazaphenalene and its n-substituted derivatives
  作者：V. V. Mezeritskii、L. G. Minyaeva、N. I. Omelichkin、G. S. Borodkin、M. S. Korobov

  DOI：10.1134/s1070428015050152

  日期：2015.5

  1-Substituted 1H-1,2-diazaphenalenes (1H-benzo[de]cinnolines) undergo nitration with nitric acid leading to the formation of di- and trinitro derivatives. The yield of nitration products depends on nitric acid concentration.

  1-取代的1 H -1,2-二氮杂苯丙氨酸（1 H-苯并[ de ] cinnolines ）经过硝酸硝化，导致形成二硝基和三硝基衍生物。硝化产物的产率取决于硝酸浓度。