5-Methylpicolinic acid

Base Information

• Chemical Name: 5-Methylpicolinic acid
• CAS No.: 4434-13-3
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.138
• Hs Code.: 29333990
• European Community (EC) Number: 692-330-2
• DSSTox Substance ID: DTXSID50196144
• Nikkaji Number: J107.183A
• Wikidata: Q72496598
• Mol file: 4434-13-3.mol

Synonyms:5-Methylpicolinic acid;5-Methylpyridine-2-carboxylic acid;4434-13-3;2-Pyridinecarboxylic acid, 5-methyl-;Picolinic acid, 5-methyl-;5-Methyl-2-pyridinecarboxylic acid;5-methyl picolinic acid;5-methyl-pyridine-2-carboxylic acid;BRN 0112043;MFCD01704358;5-22-02-00333 (Beilstein Handbook Reference);5-methylpicolic acid;SCHEMBL82620;DTXSID50196144;5-methylpicolinic acid, AldrichCPR;CS-D1603;AKOS012258416;AB09798;CG-0700;AC-23490;LS-109683;A7034;AM20070237;FT-0647493;EN300-99937;J-517827

Chemical Property of 5-Methylpicolinic acid

Chemical Property:

• Vapor Pressure: 0.000166mmHg at 25°C
• Melting Point: 164-166 °C
• Refractive Index: 1.561
• Boiling Point: 317.069 °C at 760 mmHg
• PKA: 1.11±0.50(Predicted)
• Flash Point: 145.558 °C
• PSA: 50.19000
• Density: 1.23 g/cm³
• LogP: 1.08820
• Storage Temp.: 2-8°C
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 137.047678466
• Heavy Atom Count: 10
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

5-Methylpyridine-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Statements: 22-36/37/38
• Safety Statements: 24/25-33

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CN=C(C=C1)C(=O)O

Technology Process of 5-Methylpicolinic acid

There total 1 articles about 5-Methylpicolinic 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: 47.1%

2,5-dimethylpyridine (589-93-5) → 2-carboxy-5-methylpyridine (4434-13-3) + 6-methylnicotinic acid (3222-47-7) + Pyridine-2,5-dicarboxylic acid (100-26-5)

Guidance literature:

With potassium permanganate; In water; at 80 ℃; for 1.5h;

DOI:10.1007/BF00767669

Reference yield: 82.0%

2-carboxy-5-methylpyridine (4434-13-3) + (1-methylcyclohexyl)methanamine (3913-98-2) → 5-methyl-N-((1-methylcyclohexyl)methyl)picolinamide

Guidance literature:

With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In N,N-dimethyl-formamide; at 20 ℃; for 16h; Inert atmosphere;

DOI:10.1002/adsc.202000726

Reference yield: 75.0%

2-carboxy-5-methylpyridine (4434-13-3) + bromobenzene (108-86-1,52753-63-6) → 2,6-diphenyl-3-methylpyridine (28489-52-3)

Guidance literature:

With copper(I) oxide; bis(benzonitrile)palladium(II) dichloride; potassium carbonate; triphenylphosphine; dimethyl sulfate; In N,N-dimethyl acetamide; at 150 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201400900

upstream raw materials:

2,5-dimethylpyridine

Downstream raw materials:

(4-methoxyphenyl)(5-methylpyridin-2-yl)methanol

5-methylpyridine-2-carboxylic acid chloride

methyl 5-methylpyridine-2-carboxylate

5-methylpyridine-2-carboxylic acid [benzyl(2-nitrophenyl)]amide

Refernces