2-Fluoropyridine-5-carbonyl chloride

Base Information

• Chemical Name: 2-Fluoropyridine-5-carbonyl chloride
• CAS No.: 65352-94-5
• Molecular Formula: C6H3 Cl F N O
• Molecular Weight: 159.547
• Hs Code.: 2933399090
• European Community (EC) Number: 687-741-9
• DSSTox Substance ID: DTXSID50562325
• Wikidata: Q82446429
• Mol file: 65352-94-5.mol

Synonyms:65352-94-5;2-Fluoropyridine-5-carbonyl chloride;6-fluoropyridine-3-carbonyl chloride;6-fluoronicotinoyl chloride;MFCD07781233;6-Fluoro-nicotinoyl chloride;3-PYRIDINECARBONYL CHLORIDE, 6-FLUORO-;6-fluoronicotinoylchloride;SCHEMBL691934;6-fluoro nicotinic acid chloride;DTXSID50562325;IPOCOANFUVSCLZ-UHFFFAOYSA-N;6-Fluoro-3-Pyridinecarbonylchloride;AKOS006343269;AB42627;(S)-2-Piperidinecarboxamide hydrochloride;AC-33911;AS-40834;SY064677;A8873;2-Fluoropyridine-5-carbonyl chloride (~80%);EN300-256329;J-518750;2-Fluoropyridine-5-carbonyl chloride, 6-Fluoropyridine-3-carbonyl chloride, 5-(Chlorocarbonyl)-2-fluoropyridine

Chemical Property of 2-Fluoropyridine-5-carbonyl chloride

Chemical Property:

• Vapor Pressure: 0.123mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 90-94oC/15mm
• PKA: -3.03±0.10(Predicted)
• Flash Point: 86.2oC
• PSA: 29.96000
• Density: 1.408g/cm3
• LogP: 1.59970
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• Solubility.: Benzene (Slightly), Chloroform (Slightly), DMSO (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 158.9887196
• Heavy Atom Count: 10
• Complexity: 142

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoropyridine-5-carbonylchloride(~80%) ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1C(=O)Cl)F
• Uses: 2-Fluoropyridine-5-carbonyl chloride

Technology Process of 2-Fluoropyridine-5-carbonyl chloride

There total 5 articles about 2-Fluoropyridine-5-carbonyl chloride 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: 100.0%

6-fluoronicotinic acid (403-45-2) → 6-fluoronicotinoyl chloride (65352-94-5)

Guidance literature:

With thionyl chloride; for 2h; Reflux;

DOI:10.1016/j.cclet.2013.04.047

Reference yield:

2-fluoro-5-methylpyridine (2369-19-9) → 6-fluoronicotinic acid (403-45-2) + 6-fluoronicotinoyl chloride (65352-94-5)

Guidance literature:

With hydrogenchloride; potassium permanganate; In water;

Reference yield:

(5-methyl-pyridin-2-yl)amine (1603-41-4) → 6-fluoronicotinoyl chloride (65352-94-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 1.) NaNO₂, 2.) 48percent aq. HBF₄

2: 45 percent / KMnO₄ / H₂O / 4.5 h / 100 °C

3: 86 percent / thionyl chloride / 25 h / Heating

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

DOI:10.1021/jm00168a021

upstream raw materials:

6-fluoronicotinic acid

(5-methyl-pyridin-2-yl)amine

2-fluoro-5-methylpyridine

oxalyl dichloride

Downstream raw materials:

N-<(2-fluoropyridin-5-yl)carbonyl>pyrrolidine-2-carboxylic acid

(R)-4-[5-(4-bromo-3,5-difluoro-phenylcarbamoyl)pyridin-2-yl]-3-methyl-piperazine-1-carboxylic acid tert-butyl ester

N-(4-Bromo-3-methyl-phenyl)-6-fluoro-nicotinamide

N-(4-bromo-2-chloro-5-trifluoromethoxy-phenyl)-6-fluoro-nicotinamide