2-Fluoro-5-methylpyridine-3-carboxylic acid

Base Information

• Chemical Name: 2-Fluoro-5-methylpyridine-3-carboxylic acid
• CAS No.: 1042986-00-4
• Molecular Formula: C7H6FNO2
• Molecular Weight: 155.129
• Hs Code.: 2933399090
• DSSTox Substance ID: DTXSID70697229
• Wikidata: Q82627038
• Mol file: 1042986-00-4.mol

Synonyms:1042986-00-4;2-FLUORO-5-METHYLNICOTINIC ACID;2-FLUORO-5-METHYLPYRIDINE-3-CARBOXYLIC ACID;2-Fluoro-5-methylpyridine-3-carbxylic acid;SCHEMBL1480002;DTXSID70697229;2-Fluoro-5-methyl-nicotinic acid;QAEHBCZQGGPDED-UHFFFAOYSA-N;AMY17484;MFCD11848712;2-FLUORO-5-METHYLNICOTINICACID;AKOS022181421;AB64831;DS-14770;CS-0127894;FT-0716920;C71175;EN300-103009;Z1255396165

Chemical Property of 2-Fluoro-5-methylpyridine-3-carboxylic acid

Chemical Property:

• Boiling Point: 309.7±37.0 °C(Predicted)
• PKA: 2.61±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:

NLT 98% ^*data from raw suppliers

2-Fluoro-5-methylnicotinicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(N=C1)F)C(=O)O

Technology Process of 2-Fluoro-5-methylpyridine-3-carboxylic acid

There total 1 articles about 2-Fluoro-5-methylpyridine-3-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: 79.0%

2-fluoro-5-methylpyridine (2369-19-9) + carbon dioxide (124-38-9,18923-20-1) → 2-fluoro-5-methylpyridine-3-carboxylic acid (1042986-00-4)

Guidance literature:

2-fluoro-5-methylpyridine; With n-butyllithium; diisopropylamine; In tetrahydrofuran; hexane; at -78 ℃; for 2h;

carbon dioxide; In tetrahydrofuran; hexane; at -78 - 20 ℃;

DOI:10.1021/acs.orglett.8b03144

Reference yield: 80.0%

2-fluoro-5-methylpyridine-3-carboxylic acid (1042986-00-4) + 4-methoxycarbonyl aniline (619-45-4) → methyl 4-(2-fluoro-5-methylnicotinamido)benzoate

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 0 - 20 ℃;

Reference yield:

2-fluoro-5-methylpyridine-3-carboxylic acid (1042986-00-4) → methyl 4-(5-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)nicotinamido)benzoate

Guidance literature:

Multi-step reaction with 2 steps

1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 0 - 20 °C

2: N-ethyl-N,N-diisopropylamine / dimethyl sulfoxide / 24 h / 90 °C

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; N,N-dimethyl-formamide;

upstream raw materials:

2-fluoro-5-methylpyridine

carbon dioxide

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