2-Fluoro-3-methyl-pyridine-5-carboxylic acid

Base Information

• Chemical Name: 2-Fluoro-3-methyl-pyridine-5-carboxylic acid
• CAS No.: 885267-35-6
• Molecular Formula: C₇H₆FNO₂
• Molecular Weight: 155.129
• Hs Code.: 2933399990
• European Community (EC) Number: 825-736-7
• DSSTox Substance ID: DTXSID40585967
• Wikidata: Q82477986
• Mol file: 885267-35-6.mol

Synonyms:885267-35-6;2-FLUORO-3-METHYL-PYRIDINE-5-CARBOXYLIC ACID;6-FLUORO-5-METHYLNICOTINIC ACID;2-Fluoro-3-methylpyridine-5-carboxylic acid;6-FLUORO-5-METHYLPYRIDINE-3-CARBOXYLIC ACID;3-Pyridinecarboxylicacid, 6-fluoro-5-methyl-;MFCD07781235;6-Fluoro-5-methylnicotinicacid;SCHEMBL1608329;DTXSID40585967;5-methyl-6-fluoro-nicotinic acid;6-Fluoro-5-methyl-nicotinic acid;ZGZDYHOLKCERQB-UHFFFAOYSA-N;AKOS005263867;AB42633;AT21540;BS-17775;SY032165;2-Fluoro-3-methyl-pyridine-5-carboxylicacid;3-Pyridinecarboxylicacid,6-fluoro-5-methyl-;CS-0088259;6-Fluoro-5-methyl-pyridine-3-carboxylic acid;EN300-248104;A842647;Z1198174583;2-fluoro-3-methyl-pyridine-5-carboxylic acid, AldrichCPR

Chemical Property of 2-Fluoro-3-methyl-pyridine-5-carboxylic acid

Chemical Property:

• Boiling Point: 318.0±37.0 °C(Predicted)
• PKA: 3.48±0.10(Predicted)
• PSA: 50.19000
• Density: 1.341±0.06 g/cm3(Predicted)
• LogP: 1.22730
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 155.03825660
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-3-methylpyridine-5-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=CN=C1F)C(=O)O
• Uses: 2-Fluoro-3-methylpyridine-5-carboxylic acid

Technology Process of 2-Fluoro-3-methyl-pyridine-5-carboxylic acid

There total 1 articles about 2-Fluoro-3-methyl-pyridine-5-carboxylic 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:

5-bromo-2-fluoro-3-methyl pyridine (29312-98-9) + methyl chloroformate (79-22-1) → 2-fluoro-3-methylpyridine-5-carboxylic acid (885267-35-6) + methyl (2-fluoro-3-methyl-5-pyridine)ester

Guidance literature:

With n-butyllithium; In tetrahydrofuran; hexane; water;

Reference yield: 85.0%

2-fluoro-3-methylpyridine-5-carboxylic acid (885267-35-6) + methyl iodide (74-88-4) → methyl 6-fluoro-5-methylnicotinate (211122-38-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 16h;

Reference yield:

2-fluoro-3-methylpyridine-5-carboxylic acid (885267-35-6) → 5-methyl-6-[(1-methylethyl)oxy]-3-pyridinecarboxylic acid (1011558-18-1)

Guidance literature:

Multi-step reaction with 3 steps

1: diazomethyl-trimethyl-silane / diethyl ether / 1 h / 20 °C

2: sodium hydride / mineral oil; N,N-dimethyl-formamide / 3 h

3: water; sodium hydroxide / methanol / 2 h / Reflux

With water; sodium hydride; sodium hydroxide; diazomethyl-trimethyl-silane; In methanol; diethyl ether; N,N-dimethyl-formamide; mineral oil;

upstream raw materials:

5-bromo-2-fluoro-3-methyl pyridine

methyl chloroformate

Downstream raw materials:

methyl 6-fluoro-5-methylnicotinate

5-methyl-6-[(1-methylethyl)oxy]-3-pyridinecarboxylic acid