2,6-Difluoro-3-cyanopyridine

Base Information

• Chemical Name: 2,6-Difluoro-3-cyanopyridine
• CAS No.: 869557-17-5
• Molecular Formula: C6H2 F2 N2
• Molecular Weight: 140.092
• Hs Code.: 2933399090
• European Community (EC) Number: 862-565-7
• DSSTox Substance ID: DTXSID30602071
• Nikkaji Number: J3.542.712K
• Wikidata: Q82499010
• Mol file: 869557-17-5.mol

Synonyms:2,6-DIFLUORO-3-CYANOPYRIDINE;869557-17-5;2,6-DIFLUOROPYRIDINE-3-CARBONITRILE;2,6-Difluoronicotinonitrile;SCHEMBL5212018;DTXSID30602071;MFCD13185485;AT10588;DB-076791;CS-0377360;EN300-95210;A841888

Chemical Property of 2,6-Difluoro-3-cyanopyridine

Chemical Property:

• PSA: 36.68000
• LogP: 1.23148
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 140.01860440
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

97% ^*data from raw suppliers

2,6-Difluoro-3-cyanopyridine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC(=C1C#N)F)F

Technology Process of 2,6-Difluoro-3-cyanopyridine

There total 2 articles about 2,6-Difluoro-3-cyanopyridine 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: 56.0%

2,6-dichloro-3-pyridinecarbonitrile (40381-90-6) → 2,6-difluoropyridine-3-carbonitrile (869557-17-5)

Guidance literature:

With cesium fluoride; In dimethyl sulfoxide; at 80 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2015.09.057

Reference yield:

2,6-difluoro pyridine (1513-65-1) + p-tolylcyanate (1124-58-9) → 2,6-difluoropyridine-3-carbonitrile (869557-17-5)

Guidance literature:

2,6-difluoro pyridine; With lithium diisopropyl amide; In tetrahydrofuran; at -78 ℃; for 2h; Cooling with acetone-dry ice;

p-tolylcyanate; In tetrahydrofuran; at -78 ℃; for 0.666667h; Cooling with acetone-dry ice;

Reference yield: 25.0%

2,6-difluoropyridine-3-carbonitrile (869557-17-5) + benzylamine (100-46-9) → 2-(benzylamino)-6-fluoropyridine-3-carbonitrile + 6-(benzylamino)-2-fluoropyridine-3-carbonitrile

Guidance literature:

With potassium carbonate; In dimethyl sulfoxide; at 20 ℃; for 0.5h;

DOI:10.1016/j.tetlet.2015.09.057

upstream raw materials:

2,6-difluoro pyridine

p-tolylcyanate

2,6-dichloro-3-pyridinecarbonitrile