4-(3-(pyridin-4-yl)-1H-pyrazol-5-yl)pyridine | 129485-58-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 4-(3-(pyridin-4-yl)-1H-pyrazol-5-yl)pyridine
• 英文别名: di(4-pyridyl)-1H-pyrazole；3,5-bis(4-pyridyl)-1H-pyrazole；3,5-di-[4]pyridyl-1H-pyrazole；3,5-Di-[4]pyridyl-1H-pyrazol；4-(3-pyridin-4-yl-1H-pyrazol-5-yl)pyridine
• CAS: 129485-58-1
• 化学式: C₁₃H₁₀N₄
• 分子量: 222.249
• InChiKey: VXDOXUTXOVPJLW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  17
• 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：
  54.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(3-(pyridin-4-yl)-1H-pyrazol-5-yl)pyridine 、 copper(I) thiocyanate 在 NH₄OH 作用下， 以 乙腈 为溶剂， 生成 [Cu(I)2(3,5-bis(4-pyridyl)pyrazole(1-))(SCN)].infin.
  参考文献：
  名称：

  Two Polyknotted Topological Isomers of Copper(I) 3,5-Bis(4-pyridyl)pyrazolates

  摘要：

  Two unprecedented 3D polyknotted isomers, arisen from different linkage modes of SCN-, were obtained from 3,5-bis(4-pyridyl)-1H-pyrazole (Hbppz) and CuSCN under different conditions.

  DOI：

  10.1021/ic061152j
• 作为产物：
  描述：

  4-乙酰吡啶 在 sodium 、 一水合肼 作用下， 反应 2.0h， 生成 4-(3-(pyridin-4-yl)-1H-pyrazol-5-yl)pyridine
  参考文献：
  名称：

  Fabbrini, Farmaco, Edizione Scientifica, 1954, vol. 9, p. 603,609

  摘要：

  DOI：

文献信息

• Synthesis, anticonvulsant activity and QSAR studies of some new pyrazolyl pyridines
  作者：Joohee Pradhan、Anju Goyal

  DOI：10.1007/s00044-016-1597-8

  日期：2016.8

  Twenty-one new 3,5-bipyridinyl-1H-pyrazole derivatives (pyrazolyl pyridines) have been synthesized and evaluated for their anticonvulsant activity in animal models of epilepsy. The pyrazolyl pyridines, 7–27, were obtained through a general one-pot synthesis, from ketones and acid chlorides via formation of 1,3-diketones in situ carried out in hydrocarbon solvent and LiHMDS base. The profile of anticonvulsant

  已经合成了二十一种新的3,5-联吡啶基-1 H-吡唑衍生物（吡唑基吡啶），并在癫痫动物模型中评估了它们的抗惊厥活性。吡唑基吡啶，7–27通过一般的一锅合成，由酮和酰氯通过在烃溶剂和LiHMDS碱中原位形成1，3-二酮而获得。在大鼠和小鼠腹膜内分别以30、100和300 mg / kg的剂量腹膜内注射后，通过最大电击（MES）和皮下戊四氮（sc PTZ）测试确定了最终化合物的抗惊厥活性。在两个不同的时间间隔（0.5和4小时）进行观察。苯妥英钠可作为抗MES惊厥的标准抗癫痫药，丙戊酸可抗sc PTZ的惊厥。此外，除了主要的抗惊厥筛选外，还通过旋转脚踏试验确定了小鼠的急性神经毒性，而通过位置感官测试确定了大鼠的急性神经毒性。这些化合物仅对MES惊厥显示出抗惊厥活性。发现该化合物在两个时间点（即0.5和4小时）以100 mg / kg的剂量特别有活性，这取决于分子的亲脂性，如在滋补延伸阶段所用时间的统计上显着减少所表明的（p
• The impact of N,N′-ditopic ligand length and geometry on the structures of zinc-based mixed-linker metal–organic frameworks
  作者：Andrew D. Burrows、Siobhan Chan、William J. Gee、Mary F. Mahon、Christopher Richardson、Viorica M. Sebestyen、Domenyk Turski、Mark R. Warren

  DOI：10.1039/c7ce01447c

  日期：——

  motifs interlinked by both naphthalene rings and Hdpp linkers into a three-dimensional framework. In compounds 1, 2b, 3 and 4, the pyrazole NH groups are involved in hydrogen bonding that serves to link either interpenetrated networks or neighbouring sheets together. However, in 2a and 5a/5b the NH groups project into the pores of the framework enabling interactions with guest molecules.

  在N，N'-二位配体二（4-吡啶基）-1 H-吡唑（Hdpp）存在下，将Zn（NO 3）2 ·6H 2 O与一系列二元羧酸结合会产生一系列混合的晶体学表征的连接子金属有机骨架（MOF）。与1,4-苯二羧酸（H反应2 BDC）给出[锌2（BDC）2（HDPP）2 ]·2DMF 1，其示出的Zn 2（μ-羧酸酯）2（羧酸酯）2由bdc配体连接成片的二级建筑单元（SBU），由Hdpp接头将其构建成双互穿的三维网络。与1,4-萘二甲酸（H 2 ndc-1,4）的反应产生两种产物：[Zn 2（1,4-ndc）2（Hdpp）]·4DMF 2a形成三维网络，其中薄片由Zn 2（羧酸盐）4 '桨式'SBU通过1,4-ndc连接而形成的环，通过Hdpp柱连接在一起，而[Zn（1,4-ndc）（Hdpp）]·DMF 2b形成基于以单个锌中心为节点的类金刚石网络的四重互穿结构。与1,3-苯二甲酸（H 2mbdc
• From Simple to Complex: Topological Evolution and Luminescence Variation in a Copper(I) Pyridylpyrazolate System Tuned via Second Ligating Spacers
  作者：Shun-Ze Zhan、Mian Li、Xiao-Ping Zhou、Jia Ni、Xiao-Chun Huang、Dan Li

  DOI：10.1021/ic200854s

  日期：2011.9.19

  By systematically varying the geometric length and electronic properties of the second ligating ligands of halogen (Cl-, Br-, and I-) and pseudohalogen (CN-, SCN-, and N-3(-)) anions, we synthesized 11 isomeric/isostructural copper(I) complexes: [Cu-2(L3-3)I](n) (1), [Cu-2(L4-4)Br](n) (2-Br), [Cu-2(L4-4)Cl](n) (2-Cl), [Cu-2(L3-4)(CN)](n) (3), [Cuz(L3-3)(CN)](n) (4), [Cu-3(L4-4)(CN)(2)](n) (5), [Cu-2(L4-4)-Br](2)center dot CuBr}(n) (6-Br), [Cu-2(L4-4)Cl](2)center dot CuCl}(n) (6-Cl), [CU2(L4-4)-(SCN)](n) (7 alpha-SCN), [Cu-2(L4-4)(SCN)](n) (7 beta-SCN), and [Cu-2(L4-4)-(N3)](n) (7 alpha-N-3). These structures are based on a series of isomeric pyridylpyrazole ligands, namely, 3,5-bis(3-pyridyl)-1H-pyrazole (HL3-3), 3-(3-pyridyl)-5-(4-pyridyl)-1H-pyrazole (HL3-4), and 3,5-bis(4-pyridyl)-1H-pyrazole (HL4-4), and their structural features range from 1-D (1), 2-D (2), and 3-D noninterpenetration (3), to 3-D 2-fold interpenetration (4 and 5), to 3-D self-catenation (6 and 7), exhibiting a trend from simple to complex with dimension expansion and an interpenetrating degree increase. The five most complex structures (6 and 7) with self-catenated networks are based on 2-fold interpenetrated networks linked via appropriate second ligating spacers (Cl-, Br-, SCN-, and N-3(-)), representing a strategy to construct self-catenated coordination polymers through cross-linking interpenetrated frameworks. Moreover, these complexes exhibit strong photoluminescence, which is mainly ascribed to Cu-I-related charge transfers (MLCT, MC, and MMLCT) regulated by the electronic properties of halogen or pseudohalogen. The topological evolution and, luminescence variation presented in this work open an avenue to understanding the luminescence origin and the structure property relationship of luminescent coordination polymers.
• Ferles, Miloslav; Liboska, Radek; Trska, Petr, Collection of Czechoslovak Chemical Communications, 1990, vol. 55, # 5, p. 1228 - 1233
  作者：Ferles, Miloslav、Liboska, Radek、Trska, Petr

  DOI：——

  日期：——
• FERLES, MILOSLAV;LIBOSKA, RADEK;TRSKA, PETR, COLLECT. CZECHOSL. CHEM. COMMUN., 55,(1990) N, C. 1228-1233
  作者：FERLES, MILOSLAV、LIBOSKA, RADEK、TRSKA, PETR

  DOI：——

  日期：——