2-(1H-吡唑-3-基)吡嗪 | 111781-54-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-(1H-吡唑-3-基)吡嗪
• 中文别名: 2-(2H-吡唑-3-基)吡嗪
• 英文名称: 3-(2-pyrazine)pyrazole
• 英文别名: 2-(1H-pyrazol-3-yl)pyrazine；(pyrazol-3-yl)pyrazine；1H-pyrazol-3-yl-pyrazine；2-(1H-pyrazol-5-yl)pyrazine
• CAS: 111781-54-5
• 化学式: C₇H₆N₄
• mdl: MFCD03618495
• 分子量: 146.151
• InChiKey: XBSVVLLAMHTBPS-UHFFFAOYSA-N

物化性质

• 熔点：
  155-157°
• 沸点：
  376.6±27.0 °C(Predicted)
• 密度：
  1.296±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-(1H-吡唑-3-基)吡嗪 、 iron(II) tetrafluoroborate hexahydrate 、 水 以 水 为溶剂， 以92%的产率得到[tris((pyrazol-3-yl)pyrazine)iron(II)] tetrafluoroborate dihydrate
  参考文献：
  名称：

  Iron(II) complexes of (pyrazol-3-yl)pyrazine. Anion-dependent formation of a hydrogen-bonded, chiral nanoporous lattice

  摘要：

  Slow evaporation of aqueous solutions of (pyrazol-3-yl)pyrazine (L-1) and FeCl2, Fe(ClO4)(2) or Fe(BF4)(2) yields [FeCl2(L-1)(2)] . H2O (1 . H2O), [Fe(L-1)(3)](ClO4)(2).H2O (2.H2O) and [Fe(L-1)(3)](BF4)(2).2H(2)O (3.2H(2)O). The crystal structure of 1.H2O shows a distorted cis-octahedral high-spin Fe(II) centre. Molecules of 1 associate in the crystal through hydrogen bonding into 1D chains, which are linked into a 2D lattice by O-H...Cl hydrogen bonds to the lattice water. The structures of 2.H2O and 3.2H(2)O contain low-spin Fe(II) ions. In 2, the complex dication has a distorted mer-octahedral geometry, while in 3 the complex crystallises as its fac octahedral isomer, with crystallographic C-3 symmetry. The complex dications in 3.2H(2)O associate through hydrogen bonding into a hexagonal, chiral honeycomb structure with pores of diameter 5.3 Angstrom. These channels are filled with a disordered region of electron density, which must contain one BF4- equivalent and lattice water. Attempts to remove the water from 3.2H(2)O by heating under vacuum were unsuccessful, while partial replacement of the BF4- ions for Cl- in toluene results in decomposition of the crystalline sample. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(02)01403-1
• 作为产物：
  描述：

  4-(pyrazin-2-yl)pyrimidine 在 三氟甲磺酸酐 、 肼 作用下， 以 1,4-二氧六环 为溶剂， 以24 %的产率得到2-(1H-吡唑-3-基)吡嗪
  参考文献：
  名称：

  通过形式碳缺失将嘧啶骨架编辑为吡唑

  摘要：

  在计算分析的指导下，已经实现了一种通过正式碳缺失将嘧啶转化为吡唑的方法。嘧啶杂环是FDA批准的药物中最常见的二嗪，吡唑是最常见的二唑。因此，通过利用嘧啶独特的化学性质来获得多样化的吡唑，将嘧啶转化为吡唑的有效方法将是有价值的。已知一种将嘧啶转化为吡唑的方法，但其产率低且需要苛刻的条件。这里报道的转化在较温和的条件下进行，耐受多种官能团，并且能够在所得吡唑上同时区域选择性地引入N-取代。这种正式的一碳缺失方法成功的关键是嘧啶核心的室温三氟甲基化，然后是肼介导的骨骼重塑。

  DOI：

  10.1021/jacs.2c10746

文献信息

• 7-(substituted)piperaziny
  申请人：American Cyanamid Company

  公开号：US04940710A1

  公开（公告）日：1990-07-10

  7-(substituted)piperazinyl-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acids, the pharmacologically acceptable salts thereof, compositions containing them, processes and intermediates for producing them, and methods of using them to treat bacterial infections in warm-blooded animals.

  7-(取代)哌嗪基-1-乙基-6-氟-4-氧代-3-喹啉羧酸，其药理上可接受的盐，含有它们的组合物，生产它们的过程和中间体，以及使用它们治疗温血动物细菌感染的方法。
• LIGHT-EMITTING ELEMENT AND IRIDIUM COMPLEX
  申请人：CHENG Chien-Hong

  公开号：US20100141133A1

  公开（公告）日：2010-06-10

  An iridium complex is disclosed, which has a structure represented by the following formula (I): wherein each of Z 1 and Z 3 represents an atomic group for forming a nitrogen-containing heteroaryl group or a nitrogen-containing heterocycloalkenyl group; Z 2 represents an atomic group for forming an aryl group, a heteroaryl group, a cycloalkenyl group or a heterocycloalkenyl group; Y represents an atomic group for forming a 5-membered nitrogen-containing heterocycloalkenyl group; each of R 1 , R 2 , R 3 and R 4 represents a hydrogen atom or a substituent; m is 1 or 2; a, b and d is 0 or any positive integer; and c is an integer of from 0 to 2.

  揭示了一种铱配合物，其结构由以下公式（I）表示：其中Z1和Z3各代表用于形成含氮杂环芳基或含氮杂环烯基的原子基团；Z2代表用于形成芳基、杂环芳基、环烯基或杂环烯基的原子基团；Y代表用于形成5-成员含氮杂环烯基的原子基团；R1、R2、R3和R4中的每一个代表氢原子或取代基；m为1或2；a、b和d为0或任意正整数；c为0至2之间的整数。
• ECTOPARASITICIDAL ACTIVE SUBSTANCE COMBINATIONS
  申请人：Turberg Andreas

  公开号：US20140179623A1

  公开（公告）日：2014-06-26

  The present application relates to active compound combinations of pyrazin-2-ylpyrazoles (component A) with at least one further ectoparasiticide or synergists (component B), and to products comprising such active compound combinations. These active compound combinations are suitable for controlling animal pests in the field of veterinary medicine.

  本申请涉及吡嗪-2-基吡唑（A组分）与至少一种其他外寄生虫药或增效剂（B组分）的活性化合物组合，以及包含这种活性化合物组合的产品。这些活性化合物组合适用于在兽医药学领域控制动物害虫。
• N, <i>N</i> ‐heterocyclic Ancillary Ligands for Enhanced Photoluminescence Quantum Yields of Orange/Red‐Emitting 1‐(4‐(Trifluoromethyl)phenyl)isoquinoline‐Based Iridium (III) Complexes
  作者：Xiao‐Han Yang、Shao‐Bin Dou、Qian Zhang、Rui‐Lian Yang、Zhuo Liu、Gao‐Nan Li、Zhi‐Gang Niu

  DOI：10.1002/zaac.202000298

  日期：2021.5.10

  Four new cationic iridium (III) complexes: [(cf3piq)2Ir(pzpy)]+PF6− (Ir1), [(cf3piq)2Ir(pzpyz)]+PF6− (Ir2), [(cf3piq)2Ir(impy)]+PF6− (Ir3), and [(cf3piq)2Ir(impyz)]+PF6− (Ir4) (where cf3piq=1‐(4‐(trifluoromethyl)phenyl)isoquinoline, pzpy=2‐(1H‐pyrazol‐3‐yl)pyridine, pzpyz=2‐(1H‐pyrazol‐3‐yl)pyrazine, impy=2‐(1H‐imidazol‐2‐yl)pyridine, and impyz=2‐(1H‐imidazol‐2‐yl)pyrazine) have been synthesized and

  四个新的阳离子铱（III）络合物：[（CF 3 PIQ）2的Ir（pzpy）] + PF 6 - （IR1），[（CF 3 PIQ）2的Ir（pzpyz）] + PF 6 - （亮点Ir2），[ （cf 3 piq）2 Ir（impy）] + PF 6 −（Ir3）和[（cf 3 piq）2 Ir（impyz）] + PF 6 −（Ir4）（其中cf 3piq = 1-（4-（三氟甲基）苯基）异喹啉，pzpy = 2-（1H-吡唑-3-基）吡啶，pzpyz = 2-（1H-吡唑-3-基）吡嗪，impy = 2-（1H咪唑-2-基）吡啶和impyz = 2-（1H-咪唑-2-基）吡嗪）已经合成并充分表征。Ir3的单晶结构已通过X射线衍射确定，并证实具有两个氢键（C14-H14⋅⋅N2和C57-H57⋅⋅N9）和一个分子间π-π堆积相互作用。已经研究了所有配合物的紫外可见吸收，光致发光和电化学性质。这些配合物在CH
• Polyoxometalate-based inorganic-organic hybrids based on a half rigid N-heterocyclic carboxylate ligand: Syntheses, structures and properties
  作者：Zhenyu Shi、Xiao-Yang Yu、Zhenyu Wang、Yuguo Zheng、Qingqing Guo、Lu Gao、Rui Zhang、Ying Yang

  DOI：10.1016/j.molstruc.2020.128256

  日期：2020.9

  Abstract Three new inorganic-organic hybrids constructed from a half rigid N-heterocyclic carboxylate ligand, K[Ag3(HL1)4](Mo8O26) (1), [Ag4(HL1)2(HL2)2(SiMo12O40)] (2) and (H3O)[Ag(L1)2]·2H2O (3) [HL1 = 1-(4-carboxylbenzyl)-3-(pyrazine-2-yl)pyrazole; HL2 = 3-(2-pyrazine)pyrazole], were hydrothermally synthesized and characterized. In compound 1, K[β-Mo8O26]}n3n− chains fill in the channels of the

  摘要 由半刚性 N-杂环羧酸盐配体 K[Ag3(HL1)4](Mo8O26) (1), [Ag4(HL1)2(HL2)2(SiMo12O40)] (2) 构建的三种新型无机-有机杂化物(H3O)[Ag(L1)2]·2H2O (3) [HL1 = 1-(4-羧基苄基)-3-(吡嗪-2-基)吡唑；HL2 = 3-(2-吡嗪)吡唑]，水热合成并表征。在化合物 1 中，K[β-Mo8O26]}n3n− 链填充了 3D 超分子网络的通道。在化合物 2 中，HL1 和 HL2 与 Ag(I) 离子配位成左旋 (L) 和右旋 (R) 螺旋链，并且 (SiMo12O40)4- 阴离子将两个相邻的螺旋链连接成二维层结构。化合物3的晶体结构通过氢键和π…π相互作用稳定，形成3D超分子网络。研究了三种化合物的发光特性。此外，