4,4'-di(1H-imidazol-4-yl)biphenyl | 100146-16-5

• 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: 4,4'-di(1H-imidazol-4-yl)biphenyl
• 英文别名: 1(3)H,1'(3')H-4,4'-biphenyl-4,4'-diyl-bis-imidazole；4,4'-Di--diphenyl；4,4'-(Biphenyl-4,4'-diyl)bis(1H-imidazole)；5-[4-[4-(1H-imidazol-5-yl)phenyl]phenyl]-1H-imidazole
• CAS: 100146-16-5
• 化学式: C₁₈H₁₄N₄
• 分子量: 286.336
• InChiKey: JHUZGJNYFDJSGF-UHFFFAOYSA-N

物化性质

• 沸点：
  728.7±45.0 °C(Predicted)
• 密度：
  1.253±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  57.4
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4,4'-di(1H-imidazol-4-yl)biphenyl 、 cobalt(II) nitrate hexahydrate 、 檀香(SANTALUMALBUM)提取物 以 水 、 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 72.0h， 以21%的产率得到[Co₂(HL)₂(BPDA)]
  参考文献：
  名称：

  Cadmium(II) and cobalt(II) coordination polymers constructed from 4,4′-di(1H-imidazol-4-yl)biphenyl and varied multicarboxylate ligands: Synthesis, structure and property

  摘要：

  Five new coordination polymers [Cd-2(H2L)(BPDA)(2)] (1), [Cd-2(HL)(H2L)(1.5)(BHTC)]center dot H2O (2), [Cd-2(H2L)(2) (BPTC)]center dot H2L (3), [CO2(HL)(2)(BPDA)] (4) and [Co-2(H2L)(2)(BPTC)]center dot 4H(2)O (5) have been isolated by reactions of corresponding metal salt with 4,4'-di(1H-imidazol-4-yl)biphenyl (H2L) and multicarboxylic acids of biphenyl-4,4'-dicarboxylic acid (H(2)BPDA), biphenyl-3,4',5-tricarboxylic acid (H3BHTC) and biphenyl-3,3',5,5'-tetracarboxylic acid (H4BPTC) and structurally characterized. 1 forms a 5-fold interpenetrating 3D dmp net by cross-linking of two different kinds of infinite zigzag chains of Cd-H2L and Cd-BPDA, 2 and 5 are 2D networks with different topologies, 3 is a 3D sqc11 net with Cd-BPTC layers pillared by H2L, while 4 exhibits a 3D InS net with Co-H2L 2D networks further connected by BPDA(2-) ligands. Thermal stability of the complexes, solid state luminescent property of 1-3 and sorption property of 5 have been investigated. (C) 2014 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2014.05.020

文献信息

• Structural Diversity and Sensing Properties of Metal–Organic Frameworks with Multicarboxylate and 1<i>H</i>-Imidazol-4-yl-Containing Ligands
  作者：Zhi-Qiang Liu、Kai Chen、Yue Zhao、Yan-Shang Kang、Xiao-Hui Liu、Qing-Yi Lu、Mohammad Azam、Saud I. Al-Resayes、Wei-Yin Sun

  DOI：10.1021/acs.cgd.7b01572

  日期：2018.2.7

  [Cd(L1)(oba)]·DMF (1), [Ni3(L1)2(BPT)2(H2O)4] (2), [Zn2(L1)2(HBPT)2]·H2O (3), [Ni(L1)(BPTC)0.5(H2O)2] (4), [Ni2(μ2-O)(L2)3(Hoba)2(H2O)2] (5), and [Ni2(L2)3(BPTC)(H2O)2]·6H2O (6) [H2oba = 4,4′-oxybis(benzoic acid), H3BPT = biphenyl-3,4′,5-tricarboxylic acid, H4BPTC = biphenyl-3,3′,5,5′-tetracarboxylic acid, DMF = N,N-dimethylformamide] were achieved and structurally characterized. MOFs 1, 3, 4, and 5

  两个含1 H-咪唑-4-基的配体1,3-二（1 H-咪唑-4-基）苯（L 1）和4,4'-二（1 H-咪唑-4-基）联苯（L 2）用于在水热和溶剂热条件下与相应的金属盐与各种羧酸盐配体反应，以及六种新的金属有机骨架（MOF）[Cd（L 1）（oBA）]·DMF（1）， [Ni 3（L 1）2（BPT）2（H 2 O）4 ]（2），[Zn 2（L 1）2（HBPT）2 ]·H2 O（3），[镍（L 1）（BPTC）0.5（H 2 O）2 ]（4），[镍2（μ 2 -O）（L 2）3（HOBA）2（H 2 O）2 ]（5）和[Ni 2（L 2）3（BPTC）（H 2 O）2 ]·6H 2 O（6）[H 2 oBA = 4,4'-氧双（苯甲酸），H 3 BPT =联苯-3,4'，5-三羧酸H 4获得了BPTC ＝联苯-3，3′，5，5′-四羧酸，DMF ＝N，N-二甲基甲酰胺。的MOF 1，3，
• HEPATITIS C VIRUS INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP2513091B1

  公开（公告）日：2017-04-12
• COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3019196B1

  公开（公告）日：2018-06-06
• [EN] DEUTERATED ANALOGUES OF DACLATASVIR<br/>[FR] ANALOGUES DEUTÉRIÉS DU DACLATASVIR
  申请人：CONCERT PHARMACEUTICALS INC

  公开号：WO2016089814A1

  公开（公告）日：2016-06-09

  This invention relates to novel 4,4'-di(1H-imidazol-5-yl)-1,1'-biphenyl compounds, and pharmaceutically acceptable salts thereof. This invention also provides compositions comprising a compound of this invention and the use of such compositions in methods of treating diseases and conditions that are beneficially treated by administering an NS5A inhibitor.