Imidazolide

Base Information

• Chemical Name: Imidazolide
• CAS No.: 36954-03-7
• Molecular Formula: C3H3N2-
• Molecular Weight: 67.0702
• DSSTox Substance ID: DTXSID201032745
• Nikkaji Number: J513.704G
• Wikipedia: Imidazolate
• Wikidata: Q21099655
• Metabolomics Workbench ID: 54169
• Mol file: 36954-03-7.mol

Synonyms:imidazolide;imidazolide anion;imidazol-1-ide;imidazol-3-ide;36954-03-7;imidazolate;1H-Imidazol-1-ide;CHEBI:30366;JBFYUZGYRGXSFL-UHFFFAOYSA-N;DTXSID201032745;Q21099655

Chemical Property of Imidazolide

Chemical Property:

• Vapor Pressure: 0.024mmHg at 25°C
• Boiling Point: 257°Cat760mmHg
• Flash Point: 145°C
• Density: g/cm³
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 67.029623104
• Heavy Atom Count: 5
• Complexity: 24.1

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=C[N-]1

Technology Process of Imidazolide

There total 1 articles about Imidazolide 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:

1H-imidazole (288-32-4) + acetate (71-50-1) → imidazolide (36954-03-7) + acetic acid (64-19-7,77671-22-8)

Guidance literature:

at -173.1 - 396.9 ℃; under 0.8 - 2.4 Torr; Thermodynamic data; intrinsic gas phase acidity (acid dissociation energy) is measured as a model for strong interactions in proteins and enzymes;

DOI:10.1021/ja00218a013

Reference yield:

imidazolide (36954-03-7) + benzyl chloride (100-44-7) → 1-benzylimidazole (4238-71-5)

Guidance literature:

With tetrabutylammonium perchlorate; In acetonitrile; at 22 ℃; Rate constant;

Reference yield:

fac-(4,7-diphenyl-1,10-phenanthroline)(trifluoromethanesulfonato)tricarbonylrhenium(I) (880468-65-5) + imidazolide (36954-03-7) → C30H19N4O3Re

Guidance literature:

In methanol; for 10h; Inert atmosphere; Reflux;

DOI:10.1016/j.ejmech.2021.113858

upstream raw materials:

1H-imidazole

acetate

Downstream raw materials:

1-benzylimidazole

Refernces

A comparison of catalysts to promote imidazolide couplings including the identification of 2-hydroxy-5-nitropyridine as a new, safe, and effective catalyst

10.1021/op0580062

The research aimed to evaluate and compare the safety and catalytic effectiveness of five catalysts in promoting imidazolide couplings, a reaction type crucial for amide bond formation in pharmaceutical synthesis. The catalysts tested were 1-hydroxybenzotriazole (HOBt), 6-chloro-1-hydroxybenzotriazole (Cl-HOBt), 1-hydroxy-7-azabenzotriazole (HOAt), 2-hydroxypyridine (HOPy), and the newly identified 2-hydroxy-5-nitropyridine (NO2-HOPy). The study assessed reaction rate enhancement, shock sensitivity, and differential scanning calorimetry (DSC) data. The findings indicated that NO2-HOPy emerged as a safe, effective, and readily available alternative to the commonly used HOBt, offering a favorable balance between catalytic performance and safety. The research concluded that NO2-HOPy is a promising catalyst for imidazolide couplings, particularly given its lack of shock sensitivity and relatively high decomposition onset temperature, making it a safer option compared to the more hazardous HOAt.

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