2-Methyl-4,9(2H)-benzindazolchinon | 5519-36-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 2-Methyl-4,9(2H)-benzindazolchinon
• 英文别名: 2-methyl-2H-benzo[f]indazole-4,9-dione；2-methyl-2H-benz[f]indazole-4,9-dione；2-Methyl-2H-benz[f]indazol-4,9-dion；2-Methyl-benzindazol-chinon-(4,9)；2-Methylbenzo[f]indazole-4,9-dione
• CAS: 5519-36-8
• 化学式: C₁₂H₈N₂O₂
• 分子量: 212.208
• InChiKey: CBCFGSHQRJZUGX-UHFFFAOYSA-N

物化性质

• 熔点：
  312-314 °C
• 沸点：
  417.3±14.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  52
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  重氮甲烷 、 1,4-二羟基萘 生成 2-Methyl-4,9(2H)-benzindazolchinon
  参考文献：
  名称：

  681.醌和碳氢化合物之间的一些光化学反应

  摘要：

  DOI：

  10.1039/jr9530003405

文献信息

• Zur Synthese und Struktur derp-Indazolchinone und ihrer Methylierungsprodukte Untersuchungen �ber Chinone, 8. Mitt.
  作者：Robert Ott、Erfried Pinter

  DOI：10.1007/bf00812321

  日期：——

  The p-benzoquinones 5 e-j react with diazomethane (after dehydrogenation) to 6-anilino- 2e, dimethylamino- 2h, phenylthio- 2i, and methylthioindazolquinone 2 j. Methylation with dimethylsulfate of these as well as of the already known indazolquinones 6-toluidino- 2 f, 6-methylanilino- 2 g, 5-tert.butyl- 2 m, 5,6-methyl- (isomer mixture) 2 l, n, and benz-indazolquinone 2 o yield the 1- and 2-N-methyl derivatives 3 and 4. The structure of the 2-methyl derivatives is established by reaction of the corresponding benzoquinones with 3-methylsydnon in the case of 4 e, 4 g. UV/VIS-, IR- and H-1-NMR-spectroscopy (in CDCl3 and DMSO) were used for structure determination. Comparison of the UV/VIS-spectra of 2 - 4 shows that the indazolquinones are existing as 2 H-4,7-diones. For the structure elucidation of the 1- rs. 2-methylderivatives (which can be attributed to the methylation products) NMR-spectroscopy is well suited even without knowing the second isomer (solvent-effect). The course of the reaction of quinones with diazomethane and of the methylation reactions of the indazolquinones is discussed.
• 681. Some photochemical reactions between quinones and hydrocarbons
  作者：R. F. Moore、William A. Waters

  DOI：10.1039/jr9530003405

  日期：——