4-Methylpicolinic acid

Base Information

• Chemical Name: 4-Methylpicolinic acid
• CAS No.: 4021-08-3
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.138
• Hs Code.: 29333990
• European Community (EC) Number: 625-244-0
• DSSTox Substance ID: DTXSID70376481
• Nikkaji Number: J2.696.993J
• Wikidata: Q72496596
• Mol file: 4021-08-3.mol

Synonyms:4-Methylpicolinic acid;4-Methylpyridine-2-carboxylic acid;4021-08-3;4-Methyl-pyridine-2-carboxylic acid;4-methyl-picolinic acid;2-PYRIDINECARBOXYLIC ACID, 4-METHYL-;MFCD03731175;4-METHYL-2-PYRIDINECARBOXYLIC ACID;4-Methylpicolinicacid;4-Methyl-Pyridine-2-CarboxylicAcid;Oprea1_616377;SCHEMBL111587;DTXSID70376481;CMMURVLHXMNTHY-UHFFFAOYSA-N;AKOS002665641;AB15851;CS-W005037;PS-9096;AC-14308;4-Methylpyridine-2-carboxylic acid, 97%;AM20070140;FT-0650305;EN300-86228;W-204279

Chemical Property of 4-Methylpicolinic acid

Chemical Property:

• Vapor Pressure: 0.000315mmHg at 25°C
• Melting Point: 137-141°C
• Refractive Index: 1.561
• Boiling Point: 307.408 °C at 760 mmHg
• PKA: 1.11±0.50(Predicted)
• Flash Point: 139.716 °C
• PSA: 50.19000
• Density: 1.23 g/cm³
• LogP: 1.08820
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• 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:

98%,99%, ^*data from raw suppliers

4-Methylpyridine-2-carboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC=C1)C(=O)O
• Uses: 4-Methylpyridine-2-carboxylic acid is a used in biological studies for the mutasynthesis of potential neuroprotectant derivatives of the bipyridyl collismycin A.

Technology Process of 4-Methylpicolinic acid

There total 1 articles about 4-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: 10.0%

2,4-lutidine (108-47-4) → 2-methylisonicotinic acid (4021-11-8) + 4-methylpicolinic acid (4021-08-3)

Guidance literature:

at 30 ℃; for 16h; Pseudomonas putida ATCC 33015;

Reference yield: 86.0%

4-methylpicolinic acid (4021-08-3) + (cis-3,5-dimethylpiperazin-1-yl)-1-phenyl-1H-thieno[3,2-c]pyrazole hydrochloride → cis-[2,6-dimethyl-4-(1-phenyl-1H-thieno[3,2-c]pyrazol-3-yl)piperazin-1-yl](4-methylpyridin-2-yl)methanone

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 0 ℃; for 1h;

Reference yield: 80.0%

4-methylpicolinic acid (4021-08-3) + benzylamine (100-46-9) → N-benzyl-4-methylpicolinamide

Guidance literature:

4-methylpicolinic acid; With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20 ℃; Inert atmosphere;

benzylamine; With triethylamine; In dichloromethane; at 0 - 20 ℃; for 3h; Inert atmosphere;

DOI:10.1039/c4cc02322f

upstream raw materials:

2,4-lutidine

Downstream raw materials:

4-methylpyridine-2-carboxylic acid methyl ester

4(R)-Methylpiperidine-2(R)-carboxylic acid ethyl ester

(4-methoxy-phenyl)-(4-methyl-pyridin-2-yl)-methanol

picoline

Refernces