2-Fluoroisonicotinic acid

Base Information

• Chemical Name: 2-Fluoroisonicotinic acid
• CAS No.: 402-65-3
• Molecular Formula: C6H4FNO2
• Molecular Weight: 141.102
• Hs Code.: 29333990
• European Community (EC) Number: 637-035-1
• NSC Number: 402973
• DSSTox Substance ID: DTXSID00323069
• Nikkaji Number: J2.109.176F
• Wikidata: Q72473819
• Mol file: 402-65-3.mol

Synonyms:2-Fluoroisonicotinic acid;402-65-3;2-Fluoropyridine-4-carboxylic acid;2-Fluoro-4-pyridinecarboxylic acid;2-Fluoroisonicotinicacid;4-PYRIDINECARBOXYLIC ACID, 2-FLUORO-;MFCD02181194;2-Fluoro-isonicotinic acid;2-Fluoropyridine-4-carboxylicacid;NSC402973;2-FLUORO-4-PYRIDINYLCARBOXYLIC ACID;2-fluoro isonicotinic acid;SCHEMBL118817;DTXSID00323069;2-Fluoro-4-pyridinecarboxlic acid;BCP10414;2-fluoro-pyridine-4-carboxylic acid;BBL101850;STL555647;AKOS005063970;AB11490;AM62425;CS-W002922;NSC-402973;PS-9023;AC-24956;SY024079;2-Fluoro-4-pyridinecarboxylic acid, 97%;A6736;F0693;FT-0632096;EN300-52107;2-fluoroisonicotinic acid;2-Fluoro-4-carboxypyridine;J-400302;Z234896331

Chemical Property of 2-Fluoroisonicotinic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 0.00301mmHg at 25°C
• Melting Point: 200 °C (dec.)(lit.)
• Refractive Index: 1.541
• Boiling Point: 396.6 °C at 760 mmHg
• PKA: 3.03±0.10(Predicted)
• Flash Point: 193.6 °C
• PSA: 50.19000
• Density: 1.419 g/cm³
• LogP: 0.91890
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 141.02260653
• Heavy Atom Count: 10
• Complexity: 140

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoropyridine-4-carboxylicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

Useful:

• Canonical SMILES: C1=CN=C(C=C1C(=O)O)F

Technology Process of 2-Fluoroisonicotinic acid

There total 2 articles about 2-Fluoroisonicotinic 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: 43.0%

2-fluoro-4-methylpyridine (461-87-0) → 2-fluoropyridine-4-carboxylic acid (402-65-3)

Guidance literature:

With potassium permanganate; In water; for 13h; Reflux;

DOI:10.1021/jm101574q

Reference yield:

2-Amino-4-methylpyridine (695-34-1) → 2-fluoropyridine-4-carboxylic acid (402-65-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 51 percent / NaNO₂, HBF₄ / 0 deg C to rt

2: 26 percent / KMnO₄ / H₂O / Heating

With potassium permanganate; tetrafluoroboric acid; sodium nitrite; In water;

DOI:10.1248/cpb.38.2446

Reference yield: 91.0%

2-fluoropyridine-4-carboxylic acid (402-65-3) + (RS)-3-(4-chlorophenyl)piperidine (55989-13-4) → 4-{[3-(4-chlorophenyl)piperidin-1-yl]carbonyl}-2-fluoropyridine

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; In dichloromethane; at 20 - 25 ℃; for 18h;

upstream raw materials:

2-fluoro-4-methylpyridine

2-Amino-4-methylpyridine

Downstream raw materials:

2-fluoro-isonicotinic acid methyl ester

ethyl 2-fluoroisonicotinate

2-fluoro-pyridine-4-carboxyl chloride

(2-fluoropyridin-4-yl)methanol

Refernces

• 1、 Al Jammaz,Al-Otaibi,Okarvi,Amartey. "Rapid and efficient synthesis of [18F]fluoronicotinamides, [18F]fluoroisonicotinamides and [18F]fluorobenzamides as potential pet radiopharmaceuticals for melanoma imaging". scheme or table. p. 312 - 317. Retrieved 2012/06/04.
• 2、 -. "Substituted benzimidazoles". . . Retrieved 2008/06/13.