pyrazine hydrochloride | 30882-41-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: pyrazine hydrochloride
• 英文别名: pyrazin-1-ium;chloride
• CAS: 30882-41-8
• 化学式: C₄H₅N₂*Cl
• 分子量: 116.55
• InChiKey: HYHBKLWDTGTBME-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  25.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  pyrazine hydrochloride 在 溴 作用下， 生成 2-溴吡嗪
  参考文献：
  名称：

  2-brompyrazine and method of preparing same

  摘要：

  公开号：

  US02403710A1

文献信息

• Direct C–H photoarylation of diazines using aryldiazonium salts and visible-light
  作者：Rodrigo C. Silva、Lucas F. Villela、Timothy J. Brocksom、Kleber T. de Oliveira

  DOI：10.1039/d0ra06876d

  日期：——

  demonstrate the efficacy of this protocol by the scope with electron-donor, -neutral, and -withdrawing groups attached at the ortho, meta, and para positions of the aryldiazonium salts; the results are better than those reported for ruthenium-complex mediated photoarylations. Additionally, we demonstrate the robustness of this methodology with a 5 mmol scaled-up experiment. Mechanistic studies were carried

  在本研究中，描述了在可见光照射（蓝色 LED）下吡嗪与芳基重氮盐的直接 C-H 光芳基化，还涵盖了其他例子，包括嘧啶和哒嗪的光芳基化。仅通过混合和辐照反应，无需额外的光催化剂即可以高达 84% 的产率制备相应的芳基二嗪。我们通过在邻位、元位和对位连接的电子供体、中性和撤回基团的范围来证明该协议的有效性芳基重氮盐的位置；结果比报道的钌络​​合物介导的光芳基化的结果要好。此外，我们通过 5 mmol 放大实验证明了该方法的稳健性。进行了机理研究，以支持电子供体-受体 (EDA) 复合物光催化方法的提议，同时也强调了溶剂在 EDA 复合物形成中的关键作用。
• Organic–inorganic hybrids based on four-electron reduced Keggin β-isomer phosphododecamolybdates and diazines
  作者：Pablo Vitoria、María Ugalde、Juan M. Gutiérrez-Zorrilla、Pascual Román、Antonio Luque、Leire San Felices、Javier García-Tojal

  DOI：10.1039/b207243b

  日期：2003.1.20

  Six salts of diazonium cations (C4H5N2+) with the four-electron reduced β-Keggin phosphododecamolybdate, (1,2-C4H5N2)3[H4PMo12O40]·9H2O (1), (1,3-C4H5N2)2[H5PMo12O40]·(1,3-C4H4N2)·10H2O (2), (1,4-C4H5N2)3[H4PMo12O40]·5H2O (3), (1,2-C4H5N2)3[H4PMo12O40]·2H2O (4), (1,3-C4H5N2)3[H4PMo12O40]·2H2O (5), and (1,4-C4H5N2)2[H5PMo12O40]·½(1,4-C4H4N2)·5H2O (6), have been synthesised in aqueous solution. Compounds 1–3 were obtained photochemically using methanol as electron donor, and compounds 4–6 were prepared using thiophosphate as reducing agent. These compounds contain the four-electron reduced β-Keggin polyanion with a variable degree of protonation. The crystal packing in compound 1 consists of chains formed by pairs of polyanions hydrogen bonded along the [010] direction. The diazonium cations are connected, via NX1–HX1⋯Ow hydrogen bonds, to a ten-membered ring of hydrogen bonded water molecules. The crystal packing in compound 6 is formed by antiparallel chains of polyanions connected through the hydrogen bond OHpoly⋯Opoly along the [010] direction. These polyanion chains are embedded in a 3D-channel structure formed by a helicoidal arrangement of the diazine species hydrogen bonded via the water molecules. The dimensions of these tunnels are approximately 14 × 13.5 Å. Ab initio RHF calculations have been performed on idealised α- and β-Keggin isomers in order to get information about stability and protonation sites and interactions between the organic rings and the surface of the Keggin anions.

  六种重氮阳离子（C4H5N2+）与四电子还原的δ-Keggin 磷十二钼酸盐：(1,2- )3[H4PMo12O40]Â-9H2O (1)、(1,3- )2[H5PMo12O40]Â-(1,3-C4H4N2)Â-10H2O (2)、(1、4- )3[H4PMo12O40]Â-5H2O (3)，(1,2- )3[H4PMo12O40]Â-2H2O (4)，(1,3- )3[H4PMo12O40]Â-2H2O (5)、和 (1,4- )2[H5PMo12O40]Â-½(1,4- )Â-5H2O (6) 在水溶液中合成。化合物 1â3 是以甲醇为电子供体通过光化学方法获得的，化合物 4â6 是以硫代磷酸盐为还原剂制备的。这些化合物含有质子化程度不同的四电子还原δ-凯金多阴离子。化合物 1 的晶体结构由多阴离子对沿 [010] 方向氢键连接形成的链组成。重氮阳离子通过 NX1âHX1â¯Ow 氢键与氢键水分子的十元环相连。化合物 6 的晶体堆积是由沿着 [010] 方向通过氢键 OHpolyâ¯Opoly 连接的反平行多阴离子链形成的。这些多阳离子链嵌入了由通过水分子氢键连接的重氮物种螺旋状排列形成的三维通道结构中。这些通道的尺寸约为 14âââ13.5 à 。我们对理想化的 δ- 和 δ²-Keggin 异构体进行了 Ab initio RHF 计算，以获得有关稳定性、质子化位点以及有机环与 Keggin 阴离子表面之间相互作用的信息。
• Cationic Brønsted Acids for the Preparation of Sn ^IV Salts: Synthesis and Characterisation of [Ph ₃ Sn(OEt ₂ )][H ₂ N{B(C ₆ F ₅ ) ₃ } ₂ ],[Sn(NMe ₂ ) ₃ (HNMe ₂ ) ₂ ][B(C ₆ F ₅ ) ₄ ] and [Me ₃ Sn(HNMe ₂ ) ₂ ][B(C ₆ F ₅ ) ₄ ]
  作者：Yann Sarazin、Simon J. Coles、David L. Hughes、Michael B. Hursthouse、Manfred Bochmann

  DOI：10.1002/ejic.200600397

  日期：2006.8

  Ph3SnN(SiMe3)(2) (1) was prepared in good yields by reaction of [NaN(SiMe3)(2)}(2)center dot THF] (2) with Ph3SnF. Treatment of 1 with [H(OEt2)(2)][H2NB(C6F5)(3)}(2)] (4) in dichloromethane afforded the stannylium cation [Ph3Sn(OEt2)][H2NB(C6F5)(3)}(2)] (5), which was characterised by H-1, C-13H-1}, B-11, F-19 and Sn-119 NMR spectroscopy. The reaction of Sn(NMe2)(4) with [Ph2MeNH][B(C6F5)(4)] (3) gave

  Ph3SnN(SiMe3)(2) (1) 通过 [NaN(SiMe3)(2)}(2) 中心点 THF] (2) 与 Ph3SnF 的反应以良好的产率制备。在二氯甲烷中用 [H(OEt2)(2)][H2NB(C6F5)(3)}(2)] (4) 处理 1 得到锡鎓阳离子 [Ph3Sn(OEt2)][H2NB( ) (3)}(2)] (5)，其特征在于 H-1、C-13H-1}、B-11、F-19 和 Sn-119 NMR 光谱。Sn(NMe2)(4) 与 [Ph2MeNH][B( )(4)] (3) 反应得到酰胺基 (IV) 化合物 [Sn(NMe2)(3)(HNMe2)(2)][B ( )4] (6) 证明其对配体取代非常稳定，并且抵抗 Et2O、THF、TMEDA 和吡嗪的处理。两种新的布朗斯台德酸盐 [H(NMe2H)(2)][B( )(4)] (7)。和
• LE BERRE A.; ETIENNE A.; DELACROIX A.; PROUST A., BULL. SOC. CHIM. FRANCE, PART 2, 1975, NO 11-12, 2531-2537
  作者：LE BERRE A.、 ETIENNE A.、 DELACROIX A.、 PROUST A.

  DOI：——

  日期：——