1H-Imidazo[4,5-C]pyridin-2(3H)-one

Base Information

• Chemical Name: 1H-Imidazo[4,5-C]pyridin-2(3H)-one
• CAS No.: 7397-68-4
• Molecular Formula: C6H5N3O
• Molecular Weight: 135.12
• Hs Code.: 2933990090
• European Community (EC) Number: 896-519-2
• Nikkaji Number: J1.950.761K
• Mol file: 7397-68-4.mol

Synonyms:7397-68-4;1H-IMIDAZO[4,5-C]PYRIDIN-2(3H)-ONE;3H-imidazo[4,5-c]pyridin-2-ol;1,3-Dihydro-2h-imidazo[4,5-c]pyridin-2-one;1,3-dihydroimidazo[4,5-c]pyridin-2-one;2H-Imidazo[4,5-c]pyridin-2-one, 1,3-dihydro-;1H,2H,3H-imidazo[4,5-c]pyridin-2-one;Oprea1_778542;SCHEMBL259923;AMY5710;ZJSVBILSBHWRTN-UHFFFAOYSA-N;1h-imidazo[4,5-c]pyridin-2-ol;CS1977;MFCD18872694;AKOS013060249;AKOS022421475;AB11607;CS-W021327;DS-7342;AC-31817;SY007152;FT-0695440;EN300-250361;1H-Imidazo[4 pound not5-c]pyridin-2(3H)-one;F0378-0007;F8883-4839

Chemical Property of 1H-Imidazo[4,5-C]pyridin-2(3H)-one

Chemical Property:

• Melting Point: 308-310 °C
• Boiling Point: 146.7±9.0 °C(Predicted)
• PKA: 12.27±0.20(Predicted)
• PSA: 61.54000
• Density: 1.346±0.06 g/cm3(Predicted)
• LogP: 0.25120
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 135.043261791
• Heavy Atom Count: 10
• Complexity: 159

Purity/Quality:

97% ^*data from raw suppliers

3H-Imidazo[4,5-c]pyridin-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC2=C1NC(=O)N2
• Uses: 1H-Imidazo[4,5-c]pyridin-2(3H)-one is used as a reactant in the regiospecific preparation of cyclic ureas using selective protection by alkoxycarbonyl groups.

Technology Process of 1H-Imidazo[4,5-C]pyridin-2(3H)-one

There total 17 articles about 1H-Imidazo[4,5-C]pyridin-2(3H)-one 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: 98.0%

3,4-diaminopyridine (54-96-6) + carbon monoxide (201230-82-2) → 1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (7397-68-4)

Guidance literature:

With selenium; In tetrahydrofuran; at 100 ℃; for 20h; under 22800.7 Torr;

DOI:10.1246/bcsj.60.1793

Reference yield: 76.0%

3,4-diaminopyridine (54-96-6) + 1,1'-carbonyldiimidazole (530-62-1) → 1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (7397-68-4)

Guidance literature:

In tetrahydrofuran; at 66 ℃; for 2h; Inert atmosphere; Microwave irradiation;

DOI:10.1021/acs.jmedchem.5b00874

Reference yield: 74.0%

3-amino-4-pyridylcarbamic acid methyl ester (623562-26-5) → 1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one (7397-68-4)

Guidance literature:

In diethylene glycol dimethyl ether; at 150 ℃; for 24h;

DOI:10.1002/jhet.5570400405

upstream raw materials:

3,4-diaminopyridine

carbon monoxide

(3-Amino-pyridin-4-yl)-carbamic acid tert-butyl ester

3-amino-4-pyridylcarbamic acid methyl ester

Downstream raw materials:

1-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-1,3-dihydroimidazo<4,5-c>pyridin-2-one

3-(2,3,5-tri-O-benzoyl-β-D-ribofuranosyl)-1,3-dihydroimidazo<4,5-c>pyridin-2-one

5-amino-1,3-dihydroimidazo<4,5-c>pyridin-2-onium mesitylenesulfonate

1-(Cyclohexylmethyl)-1,2-dihydro-2-oxo-3H-imidazo<4,5-c>pyridine-3-carboxylic acid 1,1-dimethylethyl ester