6-(1h-Imidazol-1-yl)nicotinaldehyde

Base Information

• Chemical Name: 6-(1h-Imidazol-1-yl)nicotinaldehyde
• CAS No.: 111205-03-9
• Molecular Formula: C9H7N3O
• Molecular Weight: 0.00000
• European Community (EC) Number: 882-369-5
• Mol file: 111205-03-9.mol

Synonyms:6-(1h-imidazol-1-yl)nicotinaldehyde;111205-03-9;6-(1H-imidazol-1-yl)pyridine-3-carbaldehyde;6-imidazol-1-ylpyridine-3-carbaldehyde;SCHEMBL1609848;GMCHSEPOEYRTQA-UHFFFAOYSA-N;2-1H-imidazol-1-yl-5-formylpyridine;AKOS017765282;CS-0230257;EN300-102962;2-(1H-Imidazol-1-yl)-5-pyridinecarboxaldehyde;6-(1H-Imidazol-1-yl)-3-pyridinecarboxaldehyde;Z1359498152

Chemical Property of 6-(1h-Imidazol-1-yl)nicotinaldehyde

Chemical Property:

• Melting Point: 136-137.5 °C
• Boiling Point: 386.7±27.0 °C(Predicted)
• PKA: 4.08±0.10(Predicted)
• PSA: 0.00000
• Density: 1.25±0.1 g/cm3(Predicted)
• LogP: 0.00000
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 173.058911855
• Heavy Atom Count: 13
• Complexity: 186

Purity/Quality:

99% ^*data from raw suppliers

6-(1H-Imidazol-1-yl)pyridine-3-carbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=NC=C1C=O)N2C=CN=C2

Technology Process of 6-(1h-Imidazol-1-yl)nicotinaldehyde

There total 4 articles about 6-(1h-Imidazol-1-yl)nicotinaldehyde 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: 72.0%

1H-imidazole (288-32-4) + 2-fluoro-5-formylpyridine (677728-92-6) → 2-(1H-imidazol-1-yl)-5-pyridinecarboxaldehyde (111205-03-9)

Guidance literature:

With triethylamine; cesium fluoride; In tetrahydrofuran; at 20 ℃; for 48h;

DOI:10.1021/acs.jmedchem.1c00401

Reference yield: 49.0%

1H-imidazole (288-32-4) + 6-bromonicotinaldehyde (149806-06-4) → 2-(1H-imidazol-1-yl)-5-pyridinecarboxaldehyde (111205-03-9)

Guidance literature:

With copper(l) iodide; sodium t-butanolate; In dimethyl sulfoxide;

DOI:10.1016/j.poly.2019.114240

Reference yield:

1H-imidazole (288-32-4) + 6-chloronicotinylaldehyde (23100-12-1) → 2-(1H-imidazol-1-yl)-5-pyridinecarboxaldehyde (111205-03-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 16h;

upstream raw materials:

1H-imidazole

6-bromonicotinaldehyde

6-chloronicotinylaldehyde

2-fluoro-5-formylpyridine