| 133338-92-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 四氢异喹啉
• CAS: 133338-92-8
• 化学式: C₄₃H₃₆N₆O₄
• 分子量: 700.797
• InChiKey: JVERAZLOKSVKRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.63
• 重原子数：
  53.0
• 可旋转键数：
  4.0
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  108.72
• 氢给体数：
  1.0
• 氢受体数：
  9.0

反应信息

• 作为产物：
  描述：

  4-苯基-1,2,4-三唑啉-3,5-二酮 、 2-diazo-1,3-dimesitylindene 以 苯 为溶剂， 反应 16.0h， 以27.2%的产率得到3-mesityl-6',8'-dimethyl-2'-phenyl-2'-hydro-1'H,10'H-spiro[indene-1,5'-[1,2,4]triazolo[1,2-b]phthalazine]-1',3'-dione
  参考文献：
  名称：

  2-Diazo-1,3-dimesityl-2H-indene and 1,3-dimesitylisoindenylidene

  摘要：

  Reduction of 1,3-dihydroxy-1,3-dimesitylindan-2-one oxime 5 with Hl-HOAc gives the primary enamine, 2-amino-1,3-dimesitylindene 7. This resists hydrolysis to 1,3-dimesitylindan-2-one 6 even with boiling concentrated HCl-dioxane (1:1); steric protection of C-3 by the mesityl group and an overwhelming preference for the enamine tautomer may account for the unusual stability of 7. With NaNO2-HOAc 7 gives 2-diazo-1,3-dimesityl-2H-indene 2, the only known 2-diazoindene. The C-13 and N-15 NMR shifts of C-2 and the terminal nitrogen in 2 suggest somewhat greater diazonium indenylide character than for 1-diazoindene. Though isolable, 2 decomposes slowly at 20-degrees-C or upon exposure to visible light to give the hydrocarbons 14, 15 and 16, which probably arise via 1,3-dimesitylisoindenylidene 3 and the o-quinodimethanes 18 and 19. The decomposition of 2 in the presence of oxygen, 4-phenyltriazoline-3,5-dione, and N-phenylmaleimide are described.

  DOI：

  10.1039/p19910000249