4-fluoro-1,2,3,6,7,8-hexahydro-pyrene | 2838-34-8

• 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: 4-fluoro-1,2,3,6,7,8-hexahydro-pyrene
• 英文别名: 4-Fluor-1,2,3,6,7,8-hexahydro-pyren；1,2,3,6,7,8-Hexahydro-4-fluorpyren；4-Fluoro-1,2,3,6,7,8-hexahydropyrene
• CAS: 2838-34-8
• 化学式: C₁₆H₁₅F
• 分子量: 226.294
• InChiKey: HCIIEBVVJVAHGY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  17
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1,2,3,6,7,8-六氢芘 在 N-fluoro-2,4-dinitroimidazole 作用下， 以 1,2-二氯乙烷 为溶剂， 反应 72.0h， 以16%的产率得到4-fluoro-1,2,3,6,7,8-hexahydro-pyrene
  参考文献：
  名称：

  Facile one-pot fluorination of polycyclic aromatic hydrocarbons (PAHs) with N-fluoro-2,4-dinitroimidazole; scope and limitation

  摘要：

  The synthetic utility of N-fluoro-2,4-dinitro-imidazole 'NF-2,4-DNI', a recently introduced NF fluorinating agent, has been tested for direct one-pot fluorination of several classes of polycyclic aromatic hydrocarbons, PAHs, namely pyrene, crowded alkyl(cycloalkyl)-pyrenes; hexahydro- and tetrahydro-pyrene; benzo[a] anthracene; benzo[a]- and benzo[e]pyrene; perylene; 2,7-di-tert-butylphenanthrene; chrysene; 9-methylanthracene and anthracene, as well as trans-15, 16-dimethyl-dihydropyrene; azuleno[1,2-a] acenaphthylene and azulene. Although the isolated yields are modest, the ease of handling of the reagent, simple operation (reflux in dichloroethane for 3 days) and the use of 1.1 equivalent of the reagent makes the procedure quite attractive for polynuclear aromatics, avoiding multi-step operations (NO2-PAH-->NH2-PAH-->N-2(+)-PAH-->F-PAH) or the use of toxic or costly reagents (CF3OF, XeF2, etc.); it provides direct one-pot access to a variety of F-PAHs that are not readily made using other fluorinating agents. (C) 1998 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0022-1139(98)00224-3

文献信息

• The 3D structure of the super-sauze earthflow: A first stage towards modelling its behaviour
  作者：J.-C. Flageollet、J.-P. Malet、O. Maquaire

  DOI：10.1016/s1464-1909(00)00102-7

  日期：2000.1

  In the "Terres-Noires" of the Barcelonnette basin, France, the Super-Saute earthflow is being studied to understand the mechanisms of triggering, slidding and flowing and to propose a predicting dynamic behaviour model. This paper describes the main results of an on-site geotechnical investigation carried out in 1996, which allowed us to establish precisely the internal 3-D structure of the moving mass (position and shape of the paleotopography, functioning of two flow units from the surface to the depth and spatial subdivision of the flow into. compartments using contrasts of velocity, by morphological aspects, or mechanical and hydrodynamical characteristics of the material). Moreover, studies of old aerial photographs identified the importance of the buried topography on the dynamic evolution of the flow. (C) 2000 Elsevier Science Ltd. All rights reserved.
• Facile one-pot fluorination of polycyclic aromatic hydrocarbons (PAHs) with N-fluoro-2,4-dinitroimidazole; scope and limitation
  作者：Kenneth K. Laali、Mutsuo Tanaka、Farhad Forohar、Michael Cheng、John C. Fetzer

  DOI：10.1016/s0022-1139(98)00224-3

  日期：1998.9

  The synthetic utility of N-fluoro-2,4-dinitro-imidazole 'NF-2,4-DNI', a recently introduced NF fluorinating agent, has been tested for direct one-pot fluorination of several classes of polycyclic aromatic hydrocarbons, PAHs, namely pyrene, crowded alkyl(cycloalkyl)-pyrenes; hexahydro- and tetrahydro-pyrene; benzo[a] anthracene; benzo[a]- and benzo[e]pyrene; perylene; 2,7-di-tert-butylphenanthrene; chrysene; 9-methylanthracene and anthracene, as well as trans-15, 16-dimethyl-dihydropyrene; azuleno[1,2-a] acenaphthylene and azulene. Although the isolated yields are modest, the ease of handling of the reagent, simple operation (reflux in dichloroethane for 3 days) and the use of 1.1 equivalent of the reagent makes the procedure quite attractive for polynuclear aromatics, avoiding multi-step operations (NO2-PAH-->NH2-PAH-->N-2(+)-PAH-->F-PAH) or the use of toxic or costly reagents (CF3OF, XeF2, etc.); it provides direct one-pot access to a variety of F-PAHs that are not readily made using other fluorinating agents. (C) 1998 Elsevier Science S.A. All rights reserved.