5-Fluoropyridine-3-carboxylic acid N-oxide

Base Information

• Chemical Name: 5-Fluoropyridine-3-carboxylic acid N-oxide
• CAS No.: 1526-19-8
• Molecular Formula: C6H4FNO3
• Molecular Weight: 157.09900
• DSSTox Substance ID: DTXSID30704529
• Wikidata: Q82636977
• Mol file: 1526-19-8.mol

Synonyms:1526-19-8;5-Fluoropyridine-3-carboxylic acid N-oxide;3-Pyridinecarboxylic acid, 5-fluoro-, 1-oxide;5-fluoro-1-oxidopyridin-1-ium-3-carboxylic acid;SCHEMBL17295814;DTXSID30704529;FT-0738680;5-Fluoro-1-oxo-1lambda~5~-pyridine-3-carboxylic acid

Chemical Property of 5-Fluoropyridine-3-carboxylic acid N-oxide

Chemical Property:

• Boiling Point: 465.0±25.0 °C(Predicted)
• PKA: 2.85±0.10(Predicted)
• PSA: 62.76000
• Density: 1.48±0.1 g/cm3(Predicted)
• LogP: 0.95240
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 157.01752115
• Heavy Atom Count: 11
• Complexity: 164

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=[N+](C=C1F)[O-])C(=O)O

Technology Process of 5-Fluoropyridine-3-carboxylic acid N-oxide

There total 2 articles about 5-Fluoropyridine-3-carboxylic acid N-oxide 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-fluoropyridine-3-carboxylic acid (402-66-4) → 3-carboxy-5-fluoropyridine 1-oxide (1526-19-8)

Guidance literature:

With dihydrogen peroxide; acetic anhydride; acetic acid; In water; at 110 ℃; for 2h;

Reference yield:

→ 3-carboxy-5-fluoropyridine 1-oxide (1526-19-8)

Guidance literature:

5-Fluornicotinsaeure, H2O2;

Reference yield:

(S)-4-(3-amino-5-chloro-2-methylbenzyl)-2-methylpiperazine-1-carboxylic acid tert-butyl ester + 3-carboxy-5-fluoropyridine 1-oxide (1526-19-8) + trifluoroacetic acid (76-05-1) → (S)-3-((3-((4-(tert-butoxycarbonyl)-3-methylpiperidin-1-yl)methyl)-5-chloro-2-methylphenyl)aminocarbonyl)-5-fluoropyridine 1-oxide trifluoroacetate

Guidance literature:

(S)-4-(3-amino-5-chloro-2-methylbenzyl)-2-methylpiperazine-1-carboxylic acid tert-butyl ester; 3-carboxy-5-fluoropyridine 1-oxide; 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 20 ℃;

trifluoroacetic acid; In water; acetonitrile;

upstream raw materials:

5-fluoropyridine-3-carboxylic acid