2,3-dicyano-5,6-bis(4-fluorophenyl)pyrazine

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2,3-dicyano-5,6-bis(4-fluorophenyl)pyrazine
• 英文别名: 2,3-Dicyano-5,6-bis(4-fluorophenyl)-pyrazine；5,6-bis(4-fluorophenyl)pyrazine-2,3-dicarbonitrile
• 化学式: C₁₈H₈F₂N₄
• 分子量: 318.285
• InChiKey: MEOBGRQEWFKZKV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  73.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2,3-dicyano-5,6-bis(4-fluorophenyl)pyrazine 在 sodium azide 、 zinc dibromide 作用下， 以 水 为溶剂， 生成 2,3-bis(4-fluorophenyl)-5,6-di(1H-tetrazol-5-yl)pyrazine
  参考文献：
  名称：

  B7 Induces Apoptosis in Colorectal Cancer Cells by Regulating the Expression of Caspase-3 and Inhibits Autophagy

  摘要：

  DOI：

  10.2147/ott.s429128
• 作为产物：
  描述：

  4,4'-二氟苯偶酰 、 二氨基马来腈 在 溶剂黄146 作用下， 以 various solvent(s) 为溶剂， 反应 1.0h， 以50%的产率得到2,3-dicyano-5,6-bis(4-fluorophenyl)pyrazine
  参考文献：
  名称：

  Synthesis and Reactivity of Difluoroaromatic Compounds Containing Heterocyclic Central Groups

  摘要：

  The reaction of trichloroacetaldehyde with fluorobenzene, followed by a series of transformations, gave 4-fluorobenzil and 4,4'-difluorobenzil which were used in the synthesis of new difluoroaromatic compounds with a heterocyclic central group. The H-1, C-13, and F-19 NMR spectra of the newly synthesized difluoroaromatic compounds were studied. The charge densities on the carbon atoms attached to fluorine were calculated in terms of the PM3 and AM1 semiempirical approximations. A correlation was found between the charge on C(F) and the corresponding C-13 and F-19 chemical shifts. Using this correlation, the reactivity of difluoroaromatic compounds in nucleophilic substitution reactions was estimated.

  DOI：

  10.1023/b:rugc.0000016002.83302.af

文献信息

• Dicyanopyrazine-derived push–pull chromophores for highly efficient photoredox catalysis
  作者：Yu Zhao、Chenhao Zhang、Kek Foo Chin、Oldřich Pytela、Guo Wei、Hongjun Liu、Filip Bureš、Zhiyong Jiang

  DOI：10.1039/c4ra05525j

  日期：——

  Here, we report dicyanopyrazine (DPZ)-derived push–pull chromophores, easily prepared and tunable organic compounds, as new kinds of photoredox catalysts.

  在这里，我们报告了以二氰基吡嗪（DPZ）为基础的推-拉式色团，作为新型的光氧化还原催化剂，这些有机化合物易于制备并可调控。
• SUBTITUTED HETEROARYL CB1 ANTAGONISTS
  申请人：NEUROGEN CORPORATION

  公开号：EP1871762A2

  公开（公告）日：2008-01-02
• [EN] SUBTITUTED HETEROARYL CB1 ANTAGONISTS<br/>[FR] ANTAGONISTES CB1 HETEROARYLE SUBSTITUE
  申请人：NEUROGEN CORP

  公开号：WO2006113704A2

  公开（公告）日：2006-10-26

  [EN] Compounds of Formula I are provided. In which the variables are as described herein. Such compounds may be used to modulate CBl activity in vivo or in vitro, and are particularly useful in the treatment of conditions responsive to CBl modulation in humans, domesticated companion animals and livestock animals, including appetite disorders, obesity and addictive disorders. Pharmaceutical compositions and methods for using them to treat such disorders are provided, as are methods for using such Iigands for receptor localization studies and various in vitro assays.
  [FR] L'invention concerne des composés de formule (I). Dans ces formules, les variantes sont telles que décrites dans la description. Ces composés peuvent être utilisés afin de moduler l'activité in vivo ou in vitro de CB1, et sont particulièrement utiles dans le traitement de troubles réagissant à la modulation CB1 chez les humains, les animaux de compagnie domestiqués et le bétail, notamment les troubles de l'appétit, l'obésité et les troubles de dépendance. L'invention concerne également des compositions pharmaceutiques et des procédés d'utilisation de celles-ci afin de traiter ces troubles, ainsi que des procédés d'utilisation de ses ligands dans des études de localisation de récepteur et divers dosages in vitro.
• Synthesis and Reactivity of Difluoroaromatic Compounds Containing Heterocyclic Central Groups
  作者：M. L. Keshtov、C. V. Keshtova、M. M. Begretov、R. B. Tkhakakhov

  DOI：10.1023/b:rugc.0000016002.83302.af

  日期：2003.9

  The reaction of trichloroacetaldehyde with fluorobenzene, followed by a series of transformations, gave 4-fluorobenzil and 4,4'-difluorobenzil which were used in the synthesis of new difluoroaromatic compounds with a heterocyclic central group. The H-1, C-13, and F-19 NMR spectra of the newly synthesized difluoroaromatic compounds were studied. The charge densities on the carbon atoms attached to fluorine were calculated in terms of the PM3 and AM1 semiempirical approximations. A correlation was found between the charge on C(F) and the corresponding C-13 and F-19 chemical shifts. Using this correlation, the reactivity of difluoroaromatic compounds in nucleophilic substitution reactions was estimated.
• B7 Induces Apoptosis in Colorectal Cancer Cells by Regulating the Expression of Caspase-3 and Inhibits Autophagy
  作者：Xinyi Zhang、Fengxi Li、Rong Li、Nan Zhao、Dianfeng Liu、Yuelin Xu、Lei Wang、Dongxu Wang、Ruihong Zhao

  DOI：10.2147/ott.s429128

  日期：——