2-Methylnicotinic acid

Base Information

• Chemical Name: 2-Methylnicotinic acid
• CAS No.: 3222-56-8
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.138
• Hs Code.: 29339900
• European Community (EC) Number: 628-913-5
• DSSTox Substance ID: DTXSID30349156
• Nikkaji Number: J308.153B
• Wikidata: Q72493345
• Mol file: 3222-56-8.mol

Synonyms:Nicotinicacid, 2-methyl- (6CI,7CI,8CI);2-Methyl-3-pyridinecarboxylic acid;2-Picoline-3-carboxylic acid;2-Methyl-nicotinic acid;2-Methylpyridine-3-carboxylic acid;

Chemical Property of 2-Methylnicotinic acid

Chemical Property:

• Appearance/Colour: off-white plates
• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 228-230 °C (dec.)(lit.)
• Refractive Index: 1.546
• Boiling Point: 280.4 °C at 760 mmHg
• PKA: 1.95±0.10(Predicted)
• Flash Point: 123.4 °C
• PSA: 50.19000
• Density: 1.23 g/cm³
• LogP: 1.08820
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.8
• 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

2-Methylnicotinic 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

Useful:

• Canonical SMILES: CC1=C(C=CC=N1)C(=O)O
• Uses: Nicotinic acid (NN429250) derivative. 2-Methylpyridine-3-carboxylic acid was used in synthesis of 1,8-dioxo-1,2,7,8-tetrahydro-2,7,10-triaza-anthracene-4,5-dicarbaldehydes (DOTTADs) and their imines. It was also used in synthesis of 7,7-dichloro-5,7-dihydro-thieno[3,4-b]pyridin-5-one.

Technology Process of 2-Methylnicotinic acid

There total 1 articles about 2-Methylnicotinic 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: 61.0%

carbon dioxide (124-38-9,18923-20-1) + 3-bromo-2-picoline (38749-79-0) → 2-methylnicotinic acid (3222-56-8)

Guidance literature:

3-bromo-2-picoline; With n-butyllithium; In diethyl ether; hexane; at -50 ℃; for 0.5h;

carbon dioxide; In diethyl ether; hexane; at -50 ℃; for 1h;

DOI:10.1002/jlcr.1093

Reference yield: 93.0%

2-methylnicotinic acid (3222-56-8) + 1-bromo-3-(4-fluorophenyl)propane (24484-55-7) → 2-(4-(4-fluorophenyl)butyl)-nicotinic acid (1242642-99-4)

Guidance literature:

2-methylnicotinic acid; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -75 - 0 ℃;

1-bromo-3-(4-fluorophenyl)propane; In tetrahydrofuran; hexane; at -55 - 20 ℃;

With hydrogenchloride; In tetrahydrofuran; hexane; water; at 20 ℃;

Reference yield: 93.0%

2-methylnicotinic acid (3222-56-8) + 2-(3-amino-4-hydroxyphenyl)-N-((4-chloro-2-methylphenyl)(phenyl)methyl)-2-methylpropanamide (1422169-81-0) → N-(5-(2-(((4-chloro-2-methylphenyl)(phenyl)methyl)amino)-2-oxoethyl)-2-hydroxyphenyl)-2-methylnicotinamide

Guidance literature:

2-methylnicotinic acid; With thionyl chloride; In dichloromethane; for 1h; Reflux;

2-(3-amino-4-hydroxyphenyl)-N-((4-chloro-2-methylphenyl)(phenyl)methyl)-2-methylpropanamide; With N-ethyl-N,N-diisopropylamine; In dichloromethane;

upstream raw materials:

carbon dioxide

3-bromo-2-picoline

Downstream raw materials:

2-(3-nitro-trans-styryl)-nicotinic acid

7-phenyl-7,8-dihydro-pyrano[4,3-b]pyridin-5-one

2-Phenacylpyridine-3-carboxylic acid

2-methylnicotinoyl chloride

Refernces