2-(5-Fluoropyridin-2-YL)acetonitrile

Base Information

• Chemical Name: 2-(5-Fluoropyridin-2-YL)acetonitrile
• CAS No.: 960371-08-8
• Molecular Formula: C7H5FN2
• Molecular Weight: 136.1264
• DSSTox Substance ID: DTXSID50697146
• Wikidata: Q82626967
• Mol file: 960371-08-8.mol

Synonyms:2-(5-FLUOROPYRIDIN-2-YL)ACETONITRILE;960371-08-8;5-Fluoropyridine-2-acetonitrile;SCHEMBL3973895;DTXSID50697146;KVZUOWYTUQYRMV-UHFFFAOYSA-N;(5-Fluoropyridin-2-yl)acetonitrile;CS-D0880;MFCD09923768;AKOS012506465;DS-6934;FT-0727529;EN300-96328;O10489;J-506132;Z1098233918

Chemical Property of 2-(5-Fluoropyridin-2-YL)acetonitrile

Chemical Property:

• Vapor Pressure: 0.105mmHg at 25°C
• Boiling Point: 221.826°C at 760 mmHg
• PKA: 0.75±0.22(Predicted)
• Flash Point: 87.958°C
• PSA: 36.68000
• Density: 1.204g/cm³
• LogP: 1.28678
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 136.04367633
• Heavy Atom Count: 10
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

2-(5-fluoropyridin-2-yl)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NC=C1F)CC#N

Technology Process of 2-(5-Fluoropyridin-2-YL)acetonitrile

There total 1 articles about 2-(5-Fluoropyridin-2-YL)acetonitrile 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:

2,5-difluoropyridine (84476-99-3) → 2-(5-fluoropyridin-2-yl)acetonitrile (960371-08-8)

Guidance literature:

acetonitrile; With diisopropylamine; In tetrahydrofuran; for 0.25h;

2,5-difluoropyridine; In tetrahydrofuran; at -78 - 0 ℃; for 1.5h;

With water; ammonium chloride; In tetrahydrofuran;

Reference yield:

2-(5-fluoropyridin-2-yl)acetonitrile (960371-08-8) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → C14H13FN2O3 (960371-09-9)

Guidance literature:

2-(5-fluoropyridin-2-yl)acetonitrile; acrylic acid methyl ester; With potassium tert-butylate; In tetrahydrofuran; for 0.25h;

With hydrogenchloride; water;

Reference yield:

2-(5-fluoropyridin-2-yl)acetonitrile (960371-08-8) + ethanol (64-17-5) → ethyl 2-(5-fluoropyridin-2-yl) acetate (1006686-15-2)

Guidance literature:

2-(5-fluoropyridin-2-yl)acetonitrile; ethanol; With hydrogenchloride; In water; at 80 ℃; for 3h;

With sodium hydrogencarbonate; In water; at 20 ℃;

upstream raw materials:

2,5-difluoropyridine

Downstream raw materials:

ethyl 2-(5-fluoropyridin-2-yl) acetate

C₁₄H₁₃FN₂O₃

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