2-Mercapto-5-methoxyimidazole[4,5-b]pyridine

Base Information

• Chemical Name: 2-Mercapto-5-methoxyimidazole[4,5-b]pyridine
• CAS No.: 113713-60-3
• Molecular Formula: C7H7N3OS
• Molecular Weight: 181.218
• Hs Code.: 29333990
• European Community (EC) Number: 601-278-1
• DSSTox Substance ID: DTXSID70456136
• Nikkaji Number: J1.650.499H
• Wikidata: Q72488548
• ChEMBL ID: CHEMBL1797923
• Mol file: 113713-60-3.mol

Synonyms:113713-60-3;2-Mercapto-5-methoxyimidazole[4,5-b]pyridine;2-Mercapto-5-methoxyimidazole-[4,5-b]pyridine;5-Methoxy-3H-imidazo[4,5-b]pyridine-2-thiol;5-methoxy-1H-imidazo[4,5-b]pyridine-2-thiol;2-Mercapto-5-methoxy-3H-imidazo[4,5-b]pyridine;5-methoxy-1,3-dihydroimidazo[4,5-b]pyridine-2-thione;CHEMBL1797923;2-Mercapto-5-methoxyimidazol(4,5-b)pyridine;2H-Imidazo[4,5-b]pyridine-2-thione, 1,3-dihydro-5-methoxy-;5-Methoxy-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thione;MFCD06658230;SCHEMBL3170310;DTXSID70456136;PNYFSMIUARCIRR-UHFFFAOYSA-N;BDBM50346545;AKOS005254737;AKOS015852344;AKOS028108306;AC-8148;CS-W017153;DS-0701;FS-2952;PS-3599;SB17941;AM20050679;FT-0602430;2-Mercapto-5-methoxy-imidazo[4,5-b]pyridine;2-Mercapto-5-methoxyimidazolo-[4,5-b]pyridine;O10813;EN300-3219110;J-509772;Z3234818548

Chemical Property of 2-Mercapto-5-methoxyimidazole[4,5-b]pyridine

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 238-241 °C
• Refractive Index: 1.705
• Boiling Point: 314.532 °C at 760 mmHg
• PKA: 7.39±0.40(Predicted)
• Flash Point: 144.024 °C
• PSA: 89.60000
• Density: 1.47 g/cm³
• LogP: 1.25520
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 181.03098303
• Heavy Atom Count: 12
• Complexity: 199

Purity/Quality:

98%, ^*data from raw suppliers

2-Mercapto-5-methoxyimidazole[4,5-b]pyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=NC2=C(C=C1)NC(=S)N2

Technology Process of 2-Mercapto-5-methoxyimidazole[4,5-b]pyridine

There total 2 articles about 2-Mercapto-5-methoxyimidazole[4,5-b]pyridine 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:

carbon disulfide (75-15-0,12122-00-8) + 2,3-diamino-6-methoxypyridine (28020-38-4) → 5-methoxy-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thione (113713-60-3)

Guidance literature:

carbon disulfide; 2,3-diamino-6-methoxypyridine; With sodium hydroxide; In ethanol; Reflux;

With hydrogenchloride; In ethanol;

DOI:10.1016/j.bmc.2011.01.026

Reference yield:

6-methoxy-3-nitropyridin-2-amine (73896-36-3) → 5-methoxy-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thione (113713-60-3)

Guidance literature:

Multi-step reaction with 2 steps

1: iron; calcium chloride; water / ethanol / 60 °C

2: potassium hydroxide / water; ethanol / 80 °C

With water; iron; calcium chloride; potassium hydroxide; In ethanol; water;

DOI:10.1021/jm501434y

Reference yield: 67.0%

5-methoxy-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thione (113713-60-3) + methyl N-(chloroacetyl)anthranilate (58915-18-7) → C17H16N4O4S

Guidance literature:

5-methoxy-1,3-dihydro-2H-imidazo[4,5-b]pyridine-2-thione; With potassium carbonate; In acetone; at 20 ℃; for 0.25h;

methyl N-(chloroacetyl)anthranilate; In acetone; at 20 ℃;

DOI:10.1021/acs.jmedchem.7b00587

upstream raw materials:

carbon disulfide

2,3-diamino-6-methoxypyridine

6-methoxy-3-nitropyridin-2-amine

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