5(6),5'(6')-dimethylbibenzimidazole | 78196-70-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 5(6),5'(6')-dimethylbibenzimidazole
• 英文别名: 5,5'-dimethyl-1H,1'H-2,2'-bibenzimidazole；5,5'-dimethyl-2,2'-bisbenzimidazole；5,5'-dimethyl-2,2'-bibenzimidazole；5,5'-dimethyl-1(3)H,1'(3')H-[2,2']bibenzimidazolyl；5,5'-dimethyl-1H,1'H-[2,2']bibenzoimidazolyl；6-methyl-2-(6-methyl-1H-benzimidazol-2-yl)-1H-benzimidazole
• CAS: 78196-70-0
• 化学式: C₁₆H₁₄N₄
• 分子量: 262.314
• InChiKey: LTRADJKPFBPZJG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  20
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 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：

  5(6),5'(6')-dimethylbibenzimidazole 在 manganese(IV) oxide 作用下， 以 四氢呋喃 为溶剂， 反应 48.0h， 以14%的产率得到
  参考文献：
  名称：

  アザフルバレン化合物、その製造方法及び電気化学測定用組成物

  摘要：

  提供一种电化学上稳定的氮杂呋吧烯化合物，以及包含该化合物的电化学测定用组成物。通式（1）（其中，R1代表碳数为7到20的烷基。R2、R3和R4分别独立地代表氢原子或碳数为1到20的烷基。）所示的氮杂呋吧烯化合物。【选图】无

  公开号：

  JP2020132530A
• 作为产物：
  描述：

  4-甲基-2-硝基苯胺 在 溶剂黄146 、 锌 作用下， 生成 5(6),5'(6')-dimethylbibenzimidazole
  参考文献：
  名称：

  Hinsberg, Chemische Berichte, 1882, vol. 15, p. 2691

  摘要：

  DOI：

文献信息

• Ti (IV) Complexes of Some Heterocyclic Ligands Synthesis, Characterization and Ethylene Polymerization Activity
  作者：Hamdi Elagab

  DOI：10.13005/ojc/320177

  日期：2016.3.25

  31 complexes of bis - (benzimidazole, benzothiazole and benzoxazole) compounds with Ti (IV) metal centers were synthesized, characterized, activated with methylalumoxane (MAO) and then tested for catalytic ethylene polymerization. The activities of the various catalysts were found to be functions of the hetero atoms in the ligand frameworks. The highest activity was obtained with 39 / MAO (573 kg PE / mol cat. h). The produced polyethylenes showed high molecular weights (up to 1.5 ×106 g/mol) and broad molecular weight distributions (PD = 65). This could result from different interactions of the MAO counterion with the heteroatoms of the catalyst ligand generating different active sites.

  合成了31个双-（苯并咪唑、苯并噻唑和苯并恶唑）化合物与钛（IV）金属中心的配合物，进行了表征，并用甲基铝氧烷（MAO）激活，然后测试了其在催化乙烯聚合中的活性。各种催化剂的活性被发现与配体框架中的杂原子有关。39 / MAO获得了最高活性（573 kg PE / mol cat. h）。所产生的聚乙烯具有高分子量（最高可达1.5 × 10^6 g/mol）和宽的分子量分布（PD = 65）。这可能是由于MAO反离子与催化剂配体中的杂原子之间不同的相互作用生成了不同的活性位点。
• An efficient and versatile synthesis of 2, 2'-(alkanediyl)-bis-1H-benzimidazoles employing aqueous fluoroboric acid as catalyst: density functional theory calculations and fluorescence studies
  作者：Chhanda Mukhopadhyay、Sabari Ghosh、Ray J. Butcher

  DOI：10.3998/ark.5550190.0011.908

  日期：——

  Alkanediyl)-bis-1H-benzimidazoles (simple and mixed) with variable methylene spacers were synthesized in excellent yields with aqueous fluoroboric acid (45%) (0.1 ml) as catalyst under solvent-free conditions. Their optimized structures were obtained using DFT calculations where it was seen that the s-trans orientation of the two imidazole rings was preferred for all types of bis-benzimidazole systems

  在无溶剂条件下，使用氟硼酸水溶液 (45%) (0.1 ml) 作为催化剂，以优异的收率合成了具有可变亚甲基间隔基的链烷二基)-双-1H-苯并咪唑（简单和混合）。它们的优化结构是使用 DFT 计算获得的，其中发现两个咪唑环的 s-trans 取向对于所有类型的双苯并咪唑系统都是优选的。一种此类双苯并咪唑的 X 射线晶体结构进一步证实了这一事实。最后，进行了光物理研究以深入了解新合成的双-1H-苯并咪唑的荧光特性。
• Zr(IV), Ti(IV), and V(III) complexes of some benzimidazole, benzothiazole, and benzoxazole ligands: characterization and catalyst efficiency in ethylene polymerization
  作者：Hamdi Ali ELAGAB、Helmut G. ALT

  DOI：10.3906/kim-1507-82

  日期：——

  Fifteen complexes of 2, 2-bis- (benzimidazole, benzothiazole, and benzoxazole) compounds with Zr(IV), Ti(IV), and V(III) metal centers were synthesized, characterized, activated with methyalumoxane (MAO), and then tested for catalytic ethylene polymerization. The activities of the various catalysts were found to be functions of the hetero atoms in the ligand frameworks. The activity of the catalyst

  合成了15种2、2-双-（苯并咪唑，苯并噻唑和苯并恶唑）化合物与Zr（IV），Ti（IV）和V（III）金属中心的配合物，进行了表征，用甲基铝氧烷（MAO）活化，然后测试用于催化乙烯聚合。发现各种催化剂的活性是配体骨架中杂原子的功能。发现催化剂体系\ textbf 6} / MAO的活性为1372kg PE / mol催化剂。H。用催化剂体系6 / MAO生产的聚乙烯显示出高分子量（1.84 $×10 ^^ 6} g / mol）和宽分子量分布（PD ＝ 11）。这可能是由于MAO抗衡离子与催化剂配体的杂原子发生不同的相互作用而产生不同的活性位点所致。
• Structural Properties of Ruthenium Biimidazole Complexes Determining the Stability of their Supramolecular Aggregates
  作者：Nils Rockstroh、Katrin Peuntinger、Helmar Görls、Dirk M Guldi、Frank W. Heinemann、Bernhard Schäfer、Sven Rau

  DOI：10.1515/znb-2010-0309

  日期：2010.3.1

  The results of a detailed investigation of the influence of substituents in a variety of ruthenium biimidazole-type complexes [Ru(R-bpy)₂(R´-bi(bz)imH₂)]²⁺ (R = H, ^tBu; R´ = H,Me; bi(bz)imH₂ = 2,2´-bi(benz)imidazole) on selected structural and photophysical properties is reported. The photophysical properties are only marginally influenced by the substituents at the bipyridine and the biimidazole core. All complexes show intense absorptions in the visible range of the spectrum with maxima around 475 nm, and emission from the formed excited state occurs at wavelengths between 650 and 670 nm. The comparison of structural properties determined by X-ray analysis within a series of related complexes shows that the Ru-N bond lengths to the coordinated bipyridines are not significantly influenced by the substituents, but slight differences in the Ru-N bond lengths to the biimidazole-type ligands can be detected. The reactions between ruthenium complexes containing different biimidazole-type ligands with the sulfate dianion, however, show a strong correlation between the substituents at the biimidazole core and the solubility of the product. The bibenzimidazolecontaining complexes precipitate from aqueous solution whereas the ruthenium complex containing unsubstituted biimidazole stays in solution. The solid-state structure of one example of the sulfatecontaining products (2b) shows that strong hydrogen bonds between the secondary amine function of the bibenzimidazole and the oxygen functionalities of the sulfate contribute to this unexpected behavior.

  报告了对各种钌双咪唑型配合物[Ru(R-bpy)₂(R´-bi(bz)imH₂)]²⁺（R = H，^tBu；R´ = H，Me；bi(bz)imH₂ = 2,2´-双(苯并)咪唑）中取代基对选定结构和光物理性质的影响进行了详细调查。光物理性质受到苯基吡啶和双咪唑核心上的取代基的影响很小。所有配合物在可见光谱范围内显示出强烈的吸收，最大吸收波长约为475纳米，形成激发态的发射波长在650至670纳米之间。通过X射线分析确定的一系列相关配合物的结构性质比较表明，与配位的吡啶相比，钌-氮键长受取代基影响不大，但可以检测到与双咪唑型配体的钌-氮键长之间的轻微差异。然而，含有不同双咪唑型配体的钌配合物与硫酸根二阴离子之间的反应显示出双咪唑核心上的取代基与产物的溶解性之间存在强相关性。含有双苯并咪唑的配合物从水溶液中沉淀，而含有未取代的双咪唑的钌配合物保持在溶液中。硫酸根产物的一个示例（2b）的固态结构显示，双苯并咪唑的次氨基功能与硫酸根的氧官能团之间的强氢键有助于这种意外行为。
• Bis-bibenzimidazole composition
  申请人：Imperial Chemical Industries PLC

  公开号：US05258524A1

  公开（公告）日：1993-11-02

  A composition of bibenzimidazoles of the Formula (I): ##STR1## wherein X & Y which may be the same or different and, taken together, contain a total of from 12 to 52 saturated carbon atoms, are (a) each selected from --R, --COR, --CH.sub.2 COOR, --CH(COOR).sub.2 and --COOR; or (b) together form a group selected from ##STR2## wherein R is an optionally substituted hydrocarbyl group, A & B taken together with the two carbon atoms to which they are linked form an optionally substituted benzene ring; and C & D taken together with the two carbon atoms to which they are linked form an optionally substituted benzene ring; characterised in that at least 50% by weight of the bibenzimidazoles in the composition are of Formula (II) ##STR3## wherein X and Y are as hereinbefore defined; T, U, V & W which may be the same or different, are H, R.sup.1 or OR.sup.1 provided at least one of T, U, V & W is R.sup.1 or OR.sup.1 ; and R.sup.1 is C.sub.1-6 -alkyl; which are suitable for use in the extraction of zinc from aqueous solutions of zinc in the presence of other metals.

  一种双苯并咪唑的组合物，化学式为（I）：##STR1## 其中X和Y可以相同也可以不同，当它们结合在一起时，含有12至52个饱和碳原子，选自以下两种情况：（a）每个都选自--R，--COR，--CH.sub.2 COOR，--CH(COOR).sub.2和--COOR; 或者（b）它们结合在一起形成以下一组：##STR2## 其中R是一个可选择的取代烃基，A和B与它们连接的两个碳原子一起形成一个可选择的取代苯环; C和D与它们连接的两个碳原子一起形成一个可选择的取代苯环; 其特征在于组合物中至少50%的双苯并咪唑属于化学式（II）：##STR3## 其中X和Y如前所述; T，U，V和W可以相同也可以不同，是H，R.sup.1或OR.sup.1，只要T，U，V和W中至少有一个是R.sup.1或OR.sup.1; 而R.sup.1是C.sub.1-6-烷基; 该组合物适用于在其他金属存在的情况下从含锌水溶液中提取锌。