2,2'-Biimidazole

Base Information

• Chemical Name: 2,2'-Biimidazole
• CAS No.: 492-98-8
• Molecular Formula: C6H6N4
• Molecular Weight: 134.14
• Hs Code.: 2933290090
• European Community (EC) Number: 207-768-8
• NSC Number: 522950
• UNII: WEZ56MM6EC
• DSSTox Substance ID: DTXSID30197715
• Nikkaji Number: J182.242J
• Wikidata: Q72443471
• ChEMBL ID: CHEMBL333830
• Mol file: 492-98-8.mol

Synonyms:2,2'-biimidazole;H2BiIm

Chemical Property of 2,2'-Biimidazole

Chemical Property:

• Melting Point: >350°C
• Boiling Point: 455.5 °C at 760 mmHg
• PKA: pK1: 5.01(+1) (25°C,μ= 0.3)
• Flash Point: 238.1 °C
• PSA: 57.36000
• Density: 1.371 g/cm³
• LogP: 0.79980
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 134.059246208
• Heavy Atom Count: 10
• Complexity: 102

Purity/Quality:

97% ^*data from raw suppliers

1H,1''H-2,2''-Biimidazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C(N1)C2=NC=CN2
• General Description: 2,2'-Biimidazole is a versatile ligand that forms stable oxorhenium(V) complexes, exhibiting strong affinity for chloride ions through N-H···Cl^- hydrogen bonding. Its coordination chemistry facilitates the formation of both mononuclear and dinuclear complexes, with potential applications in nuclear medicine and radiotherapy due to its chelating ability and influence on complex stability. The ligand's structural flexibility and hydrogen-bonding interactions contribute to the unique spectroscopic and structural properties of the resulting rhenium complexes.

Technology Process of 2,2'-Biimidazole

There total 13 articles about 2,2'-Biimidazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

Bis-N-(2,2-dimethoxyethylacetamidine) dihydrochloride (106536-97-4) → 2,2'-biimidazole (492-98-8)

Guidance literature:

With toluene-4-sulfonic acid; at 170 ℃; for 0.333333h;

DOI:10.1055/s-1986-31607

Reference yield: 60.4%

1,2-dihydroxyethylenediamine dihydrochloride (93241-62-4) → 2,2'-biimidazole (492-98-8)

Guidance literature:

With sodium acetate; In water; at 90 ℃; for 2h;

DOI:10.1007/BF00473456

Reference yield: 53.2%

Glyoxal (131543-46-9,107-22-2) → 2,2'-biimidazole (492-98-8)

Guidance literature:

Glyoxal; With ammonium acetate; In water; at 20 - 40 ℃; for 3h;

With water; pH=5 - 7; Product distribution / selectivity;

upstream raw materials:

3,3,3-trichloro-2-hydroxy-propionic acid

Glyoxal

ammonium acetate

glyoxal sulfate

Downstream raw materials:

1,1′-dibenzyl-2,2′-biimidazole

1,1'-dimethyl-2,2'-biimidazole

N-benzyl-2,2'-bi-1H-imidazole

4-benzyl-2,2'-bi-1H-imidazole

Refernces

Preparation and characterization of oxorhenium(V) complexes with 2,2'-biimidazole: The strong affinity of coordinated biimidazole for chloride ions via N-H···Cl^- hydrogen bonding

10.1021/ic000328t

The study focuses on the preparation and characterization of oxorhenium(V) complexes with 2,2'-biimidazole, exploring the strong affinity of coordinated biimidazole for chloride ions via N-H...Cl- hydrogen bonding. The researchers synthesized a series of mononuclear and oxo-bridged dinuclear complexes containing biimidazole (biimH2) and N,N'-dimethylbiimidazole (biimMe2), aiming to understand their stability, spectroscopic properties, and potential applications in areas such as nuclear medicine and radiotherapy. Key chemicals used in the study include N,N'-dimethylbiimidazole, bipyridine, ReOCl3(OPPh3)(Me2S), and ReOCl4, which served as reactants to form the desired rhenium complexes. The study also utilized various solvents and reagents for the synthesis and characterization processes, including IR and NMR spectroscopies and X-ray diffraction for structural determination. The research revealed interesting ligating features of the biimidazole framework, its role in forming chelate rings, and its influence on the stability and properties of the resulting complexes.

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