3-Methylpicolinic acid

Base Information

• Chemical Name: 3-Methylpicolinic acid
• CAS No.: 4021-07-2
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.138
• Hs Code.: 29333990
• European Community (EC) Number: 925-240-1,626-781-3
• NSC Number: 109145
• DSSTox Substance ID: DTXSID20296408
• Nikkaji Number: J534.130B
• Wikidata: Q72496599
• ChEMBL ID: CHEMBL3229438
• Mol file: 4021-07-2.mol

Synonyms:3-methylpicolinic acid

Chemical Property of 3-Methylpicolinic acid

Chemical Property:

• Melting Point: 114-118 °C
• Boiling Point: 300.598 °C at 760 mmHg
• PKA: 1.11±0.50(Predicted)
• Flash Point: 135.597 °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:

99% ^*data from raw suppliers

3-Methylpyridine-2-carboxylic Acid ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(N=CC=C1)C(=O)O
• Uses: 3-Methylpyridine-2-carboxylic acid (3-MepicH) may be used as a ligand in the synthesis of the following metal complexes:[Cu(3-Mepic)2(4-pic)] where 4-pic=4-picoline and [Cu(3-Mepic)2]·2H2O[Co(3-Mepic)3][Ni(3-Mepic)2(H2O)2]bis(3-methyl-picolinato-κ2 N,O)(1,10-phenanthroline)zinc(II) tetrahydrate

Technology Process of 3-Methylpicolinic acid

There total 2 articles about 3-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: 73.5%

3-methylpyridine-2-carboxaldehyde (55589-47-4) → 3-methyl-pyridine-2-carboxylic acid (4021-07-2)

Guidance literature:

3-methylpyridine-2-carboxaldehyde; With silver (I) oxide; In water; at 0 ℃; for 0.5h;

With sodium hydroxide; for 0.0833333h;

With hydrogenchloride; In water;

Reference yield: 22.0%

2,3-Lutidine (583-61-9) → 3-methylpyridine-2-carboxaldehyde (55589-47-4) + 3-methyl-pyridine-2-carboxylic acid (4021-07-2)

Guidance literature:

With selenium(IV) oxide; In water; for 20h; Heating;

DOI:10.1080/00304949909355682

Reference yield: 85.0%

3-methyl-pyridine-2-carboxylic acid (4021-07-2) + aniline (62-53-3) → N-phenyl-3-methyl-2-pyridinecarboxamide (24691-94-9)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/ol500464x

upstream raw materials:

3-methylpyridine-2-carboxaldehyde

2,3-Lutidine

Downstream raw materials:

(4-methoxyphenyl)(3-methylpyridin-2-yl)methanol

ethyl 3-methylpyridine-2-carboxylate

ethyl 3-chloromethylpyridine-2-carboxylate

ethyl 3-(bromomethyl)pyridine-2-carboxylate

Refernces

• 1、 Dunn. "The selenium dioxide oxidation of 2,3- and 3,4-dimethylpyridines". . p. 120 - 123. Retrieved 2007/10/03.