5-Methoxynicotinic acid

Base Information

• Chemical Name: 5-Methoxynicotinic acid
• CAS No.: 20826-03-3
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.137
• Hs Code.: 2933399090
• European Community (EC) Number: 685-749-7
• DSSTox Substance ID: DTXSID101313471
• Nikkaji Number: J3.464.299K
• ChEMBL ID: CHEMBL3617321
• Mol file: 20826-03-3.mol

Synonyms:5-Methoxynicotinic acid;20826-03-3;5-methoxypyridine-3-carboxylic Acid;5-Methoxy-nicotinic acid;3-PYRIDINECARBOXYLIC ACID, 5-METHOXY-;CHEMBL3617321;MFCD01603648;5-Methoxynicotinicacid;SCHEMBL186386;SCHEMBL12015257;VDZUWTLBWRZRTR-UHFFFAOYSA-N;DTXSID101313471;BDBM50122017;AKOS002665908;CS-W001498;PB12749;PS-3901;SY101244;5-Methoxypyridine-3-carboxylic acid, 97%;3-METHOXY-5-PYRIDINECARBOXYLIC ACID;5-METHOXY-3-PYRIDINECARBOXYLIC ACID;AM20070161;FT-0678833;A23270;METHYL1-AMINO-1-CYCLOHEPTANECARBOXYLATE;EN300-1073127;J-517713;W-204528;Z1160905076

Chemical Property of 5-Methoxynicotinic acid

Chemical Property:

• Vapor Pressure: 6.43E-05mmHg at 25°C
• Melting Point: 127-131°C
• Boiling Point: 330.9oC at 760 mmHg
• PKA: 2.08±0.10(Predicted)
• Flash Point: 154oC
• PSA: 59.42000
• Density: 1.284g/cm3
• LogP: 0.78840
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

5-MethoxynicotinicAcid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CN=CC(=C1)C(=O)O

Technology Process of 5-Methoxynicotinic acid

There total 5 articles about 5-Methoxynicotinic acid 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 5-methoxypyridine-3-carboxylate (29681-46-7) → 5-methoxypyridine-3-carboxylic acid (20826-03-3)

Guidance literature:

With sodium hydroxide; ethanol; for 3h; Heating;

DOI:10.1021/jm0000719

Reference yield: 90.0%

→ 5-methoxypyridine-3-carboxylic acid (20826-03-3)

Guidance literature:

Reference yield:

carbon dioxide (124-38-9,18923-20-1) + C6H6FNO4S → 5-methoxypyridine-3-carboxylic acid (20826-03-3)

Guidance literature:

With manganese; bis(triphenylphosphine)nickel(II) chloride; 2.9-dimethyl-1,10-phenanthroline; In N,N-dimethyl-formamide; at 20 ℃; for 20h; under 760.051 Torr; Schlenk technique; Inert atmosphere; Glovebox;

DOI:10.1021/acs.orglett.9b00836

upstream raw materials:

methyl 5-methoxypyridine-3-carboxylate

methyl 5-hydroxy-3-pyridinecarboxylate

3-hydroxy-5-methoxypyridine

carbon dioxide

Downstream raw materials:

methyl 5-methoxypyridine-3-carboxylate

3-methoxy-5-[1-[4-(methylsulfonyl)phenyl]-4-(trifluoromethyl)-1H-imidazol-2-yl]pyridine

5-(methyloxy)pyridine-3-carbonitrile