1H-Benzimidazole,2,2'-(2,6-pyridinediyl)bis- supplier

Name
2,6-BIS(2-BENZIMIDAZOLYL)PYRIDINE
EINECS 624-875-9
CAS No. 28020-73-7
Article Data44
CAS DataBase
Density 1.386 g/cm³
Solubility
Melting Point >300 °C(lit.)
Formula C₁₉H₁₃N₅
Boiling Point 664 °C at 760 mmHg
Molecular Weight 311.346
Flash Point 311.4 °C
Transport Information
Appearance
Safety 26-37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Benzimidazole,2,2'-(2,6-pyridinediyl)bis- (8CI);2,6-Bis(benzimidazol-2-yl)pyridine;2,6-Bis(benzimidazol-2'-yl)pyridine;2,2'-Pyridine-2,6-diylbis(1H-benzimidazole);
PSA 70.25000
LogP 4.16820

Synthetic route

: 499-83-2
Pyridine-2,6-dicarboxylic acid

: 95-54-5
1,2-diamino-benzene

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

Conditions

Conditions	Yield
With phosphoric acid at 220℃; for 4h;	96%
With polyphosphoric acid at 200℃; for 6h;	95%
With phosphoric acid at 220℃; for 5h;	92%

: 2,6-bis{[(2-aminophenyl)imino]methyl}pyridine

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

Conditions

Conditions	Yield
With iodine In methanol; dichloromethane for 5h;	94%

: Cu(OAc)2*2,6-bis(benzoimidazolyl)pyridine

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

Conditions

Conditions	Yield
With sodium sulfide In methanol for 0.5h;	85%

: [Cu(2,6-bis(1H-benzo[d]imidazol-2-yl)pyridine)(H2O)2](SO3CF3)2

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

Conditions

Conditions	Yield
With L-Cysteine In aq. buffer at 25℃; for 1h; pH=7.34; Concentration; Time; Inert atmosphere;

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: UO2Cl2(THF)3

: [UO2(H2BBP)Cl2]

Conditions

Conditions	Yield
With pyridine for 1h; Inert atmosphere;	98%

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: 866604-68-4
2,6-bis(5-nitro-1H-benzo[d]imidazol-2-yl)pyridine

Conditions

Conditions	Yield
With sulfuric acid; nitric acid for 4h; Cooling with ice;	97%

: ferrous(II) sulfate heptahydrate

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: ammonium hexafluorosilicate

: iron (II) hexafluorosilicate

Conditions

Conditions	Yield
With ascorbic acid In ethanol	96%

...Expand

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: 63075-66-1
diethyl (4-bromobutyl)phosphonate

: 2,6-bis(1-(4-diethylphosphonyl)butylbenzimidazol-2-yl)pyridine

Conditions

Conditions	Yield
With sodium hydride In N,N-dimethyl-formamide at 100℃; for 10h;	95%

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: AuCl4H4(1-)*K(1+)

: C19H11AuClN5(1+)

Conditions

Conditions	Yield
With sodium acetate In methanol for 2h; Reflux;	95%

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: potassium tetrachloroaurate(III)

: 7732-18-5
water

: 1431846-31-9
C19H11AuClN5*H2O

Conditions

Conditions	Yield
With sodium acetate In methanol for 2h; Reflux;	95%

...Expand

: ferrous(II) sulfate heptahydrate

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: B10H10(2-)*2K(1+)*2H2O

: [Fe(II)(2,6-bis(benzimidazol-2-yl)pyridine)2]*[B10H10]*2H2O

Conditions

Conditions	Yield
With ascorbic acid In ethanol; water for 5h; Heating;	95%

...Expand

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: potassium tetrachloroaurate(III)

: C19H11AuClN5

Conditions

Conditions	Yield
Stage #1: 2,6-bis(benzimidazole-2'-yl)pyridine With sodium acetate In methanol at 50℃; for 0.5h; Stage #2: potassium tetrachloroaurate(III) In methanol at 50℃; for 12h;	94%

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: zinc(II) nitrate hexahydrate

: 7732-18-5
water

: 128-44-9
saccharin sodium salt

: [zinc(II)(2,6-bis(2-benzimidazolyl)pyridine)2](saccharinate)2 dihydrate

Conditions

Conditions	Yield
In methanol at 60℃; for 4h;	94%

...Expand

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: iron(II) bromide

: 1184194-98-6
2,6-bis(2-benzimidazolyl)pyridine iron dibromide

Conditions

Conditions	Yield
In tetrahydrofuran (Ar); std. Schlenk technique; mixt. of ligand and FeBr2 in THF was stirred at room temp. for 1 h and at 60°C for 4 h; cooled to room temp.; filtered; washed (Et2O); dried (vac.); elem. anal.;	93%

: oxovanadium(IV) sulfate

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: VO(2,6-bis(benzimidazolyl)pyridine)(H2O)(SO4)

Conditions

Conditions	Yield
In ethanol Reflux;	93%

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: 7732-18-5
water

: 128-44-9
saccharin sodium salt

: copper dichloride

: [Cu(saccharinate)2(2,6-bis(2-benzimidazolyl)pyridine)]*3DMF

Conditions

Conditions	Yield
In methanol at 55℃; for 4h;	93%

...Expand

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: 10025-73-7
chromium(III) chloride

: 307990-84-7
[2,6-bis(2-benzimidazolyl)pyridyl]chromium(III) chloride

Conditions

Conditions	Yield
With Zn-Hg amalgam In ethanol CrCl3 placed in filter thimble of Soxhlet extractor with Zn-Hg amalgam and soln. of ligand added to reservoir flask, N2 bubbled for 10 min before heating, then CrCl3 extd.; filtered with vac., elem. anal.;	92.6%

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: manganese (II) nitrate tetrahydrate

: 7732-18-5
water

: 128-44-9
saccharin sodium salt

: [Mn(NO3)(saccharinate)(H2O)(2,6-bis(2-benzimidazolyl)pyridine)]*2DMF

Conditions

Conditions	Yield
In methanol at 55℃; for 4h;	92%

...Expand

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: 7732-18-5
water

: 34946-82-2
copper(II) bis(trifluoromethanesulfonate)

: [Cu(2,6-bis(1H-benzo[d]imidazol-2-yl)pyridine)(H2O)2](SO3CF3)2

Conditions

Conditions	Yield
In methanol at 55℃; for 0.5h; Inert atmosphere;	91.4%

...Expand

: 28020-73-7
2,6-bis(benzimidazole-2'-yl)pyridine

: cadmium chloride tetrahydrate

: Cd(C5NH3(C7N2H5)2)Cl2*H2O

Conditions

Conditions	Yield
In methanol a methanol soln. of the ligand was added to a methanol soln. of the Cd salt at room temp.; filtered, washed with methanol, acetone, ether, dried in a vac. desiccator over P4O10; elem. anal.;	91%

1H-Benzimidazole,2,2'-(2,6-pyridinediyl)bis- Specification

The 1H-Benzimidazole,2,2'-(2,6-pyridinediyl)bis-, with the CAS registry number 28020-73-7, is also known as 2,6-Bis(benzimidazol-2-yl)pyridine. It belongs to the product categories of C₉ to C₄₆; Heterocyclic Building Blocks; Pyridines. This chemical's molecular formula is C₁₉H₁₃N₅ and molecular weight is 311.34. What's more, its systematic name is 2,2'-pyridine-2,6-diylbis(1H-benzimidazole). It should be sealed and stored in a cool and dry place.

Physical properties of 1H-Benzimidazole,2,2'-(2,6-pyridinediyl)bis- are: (1)ACD/LogP: 3.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.97; (4)ACD/LogD (pH 7.4): 3.06; (5)ACD/BCF (pH 5.5): 101.76; (6)ACD/BCF (pH 7.4): 123.74; (7)ACD/KOC (pH 5.5): 899.77; (8)ACD/KOC (pH 7.4): 1094.13; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.53 Å²; (13)Index of Refraction: 1.78; (14)Molar Refractivity: 94.26 cm³; (15)Molar Volume: 224.5 cm³; (16)Polarizability: 37.36×10^-24cm³; (17)Surface Tension: 76.1 dyne/cm; (18)Density: 1.386 g/cm³; (19)Flash Point: 311.4 °C; (20)Enthalpy of Vaporization: 97.66 kJ/mol; (21)Boiling Point: 664 °C at 760 mmHg; (22)Vapour Pressure: 1.68E-17 mmHg at 25°C.

Preparation of 1H-Benzimidazole,2,2'-(2,6-pyridinediyl)bis-: this chemical can be prepared by pyridine-2,6-dicarboxylic acid and benzene-1,2-diamine at the temperature of 230 °C. This reaction will need reagent phosphoric acid with the reaction time of 4 hours The yield is about 53%.

1H-Benzimidazole,2,2'-(2,6-pyridinediyl)bis- can be prepared by pyridine-2,6-dicarboxylic acid and benzene-1,2-diamine at the ambient temperature

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c5ccccc5nc1c4nc(c3nc2ccccc2n3)ccc4
(2)InChI: InChI=1S/C19H13N5/c1-2-7-13-12(6-1)21-18(22-13)16-10-5-11-17(20-16)19-23-14-8-3-4-9-15(14)24-19/h1-11H,(H,21,22)(H,23,24)
(3)InChIKey: JBKICBDXAZNSKA-UHFFFAOYSA-N

Product Name

2,6-BIS(2-BENZIMIDAZOLYL)PYRIDINE

Synthetic route

1H-Benzimidazole,2,2'-(2,6-pyridinediyl)bis- Specification

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