2-(4-Fluorophenoxy)acetonitrile

Base Information

• Chemical Name: 2-(4-Fluorophenoxy)acetonitrile
• CAS No.: 24115-20-6
• Molecular Formula: C8H6FNO
• Molecular Weight: 151.14
• Hs Code.: 2926909090
• European Community (EC) Number: 671-690-4
• DSSTox Substance ID: DTXSID10382420
• Wikidata: Q82173772
• Mol file: 24115-20-6.mol

Synonyms:2-(4-fluorophenoxy)acetonitrile;24115-20-6;(4-fluorophenoxy)acetonitrile;Acetonitrile, 2-(4-fluorophenoxy)-;2-(4-Fluorophenoxy)-acetonitrile;p-fluorophenoxyacetonitrile;SCHEMBL3251102;DTXSID10382420;ODBGONFPCSVCCM-UHFFFAOYSA-N;MFCD03425802;AKOS000195845;CS-0216595;FT-0680547;EN300-52055;7C-016;F81756;A817103;J-505982;Z53791434

Chemical Property of 2-(4-Fluorophenoxy)acetonitrile

Chemical Property:

• Vapor Pressure: 0.014mmHg at 25°C
• Melting Point: 151.1 °C
• Refractive Index: 1.499
• Boiling Point: 258.1 °C at 760 mmHg
• Flash Point: 109.9 °C
• PSA: 33.02000
• Density: 1.185 g/cm³
• LogP: 1.72808
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 151.043341977
• Heavy Atom Count: 11
• Complexity: 155

Purity/Quality:

97% ^*data from raw suppliers

2-(4-fluorophenoxy)acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1OCC#N)F

Technology Process of 2-(4-Fluorophenoxy)acetonitrile

There total 5 articles about 2-(4-Fluorophenoxy)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: 92.6%

4-Fluorophenol (371-41-5) + cyanomethyl bromide (590-17-0) → 2-(4-fluorophenoxy)acetonitrile (24115-20-6)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃;

DOI:10.1021/co400142t

Reference yield: 90.0%

4-Fluorophenol (371-41-5) + chloroacetonitrile (107-14-2) → 2-(4-fluorophenoxy)acetonitrile (24115-20-6)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 16h; Inert atmosphere; Reflux;

Reference yield: 69.0%

4-fluoroboronic acid (1765-93-1) + cyanomethyl bromide (590-17-0) → 2-(4-fluorophenoxy)acetonitrile (24115-20-6)

Guidance literature:

With dihydrogen peroxide; sodium hydroxide; In water; N,N-dimethyl-formamide; at 80 ℃; for 4h; Green chemistry;

DOI:10.1016/j.tetlet.2020.152331

upstream raw materials:

4-Fluorophenol

iodoacetonitrile

chloroacetonitrile

cyanomethyl bromide

Downstream raw materials:

2-(4-Fluoro-phenoxy)-thioacetamide

1-(2,4-dihydroxy-5-propylphenyl)-2-(4-fluorophenoxy)ethanone

1-(2,4-dihydroxy-5-methylphenyl)-2-(4-fluorophenoxy)ethanone

α-(4-fluorophenoxy)-2,4-dihydroxyacetophenone