Methyl 5,6-diaminonicotinate

Base Information

• Chemical Name: Methyl 5,6-diaminonicotinate
• CAS No.: 104685-76-9
• Molecular Formula: C7H9N3O2
• Molecular Weight: 167.16500
• European Community (EC) Number: 820-792-9
• DSSTox Substance ID: DTXSID80432789
• Wikidata: Q82246896
• Mol file: 104685-76-9.mol

Synonyms:104685-76-9;METHYL 5,6-DIAMINONICOTINATE;5,6-Diaminopyridine-3-carboxylic acid methyl ester;Methyl 5,6-diaminopyridine-3-carboxylate;SCHEMBL41129;methyl-5,6-diaminonicotinate;DTXSID80432789;KZFTZZIOEVUOOT-UHFFFAOYSA-N;METHYL5,6-DIAMINONICOTINATE;AKOS022184260;AB64509;5,6-diamino-nicotinic acid methyl ester;Methyl 5,6-diamino-3-pyridinecarboxylate;CS-0169414;FT-0689494;E82126;EN300-122907;Z1255365747

Chemical Property of Methyl 5,6-diaminonicotinate

Chemical Property:

• PSA: 91.23000
• LogP: 1.19500
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 167.069476538
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

98%min ^*data from raw suppliers

Methyl5,6-Diaminopyridine-3-carboxylate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C1=CC(=C(N=C1)N)N

Technology Process of Methyl 5,6-diaminonicotinate

There total 7 articles about Methyl 5,6-diaminonicotinate 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: 100.0%

methyl 2-amino-3-nitropyridine-5-carboxylate (104685-75-8) → 5,6-diamino-nicotinic acid methyl ester (104685-76-9)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In tetrahydrofuran; methanol; at 20 ℃; for 15h; under 760.051 Torr;

Reference yield:

methyl 5-amino-6-nitropyridine-3-carboxylate (1354975-99-7) → 5,6-diamino-nicotinic acid methyl ester (104685-76-9)

Guidance literature:

With hydrogen; Raney Nickel; In methanol; water; at 80 ℃; for 5h; under 2068.65 Torr;

Reference yield:

methyl 6-chloro-5-nitro-pyridine-3-carboxylate (59237-53-5) → 5,6-diamino-nicotinic acid methyl ester (104685-76-9)

Guidance literature:

With palladium 10% on activated carbon; ammonia; hydrogen; In ethanol; ethyl acetate; at 0 ℃; for 1h;

upstream raw materials:

methyl 2-amino-3-nitropyridine-5-carboxylate

5,6-diamino-nicotinic acid

5-aminonicotinic acid

5-amino-6-nitropyridine-3-carboxylic acid

Downstream raw materials:

8-amino-2,3-dimethyl-imidazo[1,2-a]pyridine-6-carboxylic acid methyl ester

methyl 3H-imidazo[4,5-b]pyridine-6-carboxylate

6-Amino-5-(4-nitro-benzoylamino)-nicotinic acid methyl ester

2-amino-3-(2-methyl-6-methoxycarbonylaminobenzylamino)pyridine