2-Ethoxy-6-fluorobenzonitrile

Base Information

• Chemical Name: 2-Ethoxy-6-fluorobenzonitrile
• CAS No.: 119584-73-5
• Molecular Formula: C9H8FNO
• Molecular Weight: 165.167
• Hs Code.: 2926909090
• DSSTox Substance ID: DTXSID00426988
• Wikidata: Q72471612
• Mol file: 119584-73-5.mol

Synonyms:2-ethoxy-6-fluorobenzonitrile;119584-73-5;2-Ethoxy-6-fluoro-benzonitrile;Benzonitrile, 2-ethoxy-6-fluoro-;2-fluoro-6-ethoxybenzonitrile;SCHEMBL5102958;DTXSID00426988;HVAKERNUWAPZOR-UHFFFAOYSA-N;MFCD05664780;AKOS006343538;AM61305;FS-1794;AC-26130;2-Ethoxy-6-fluorobenzonitrile, AldrichCPR;CS-0043833;FT-0677921;A21168

Chemical Property of 2-Ethoxy-6-fluorobenzonitrile

Chemical Property:

• Vapor Pressure: 0.0239mmHg at 25°C
• Melting Point: 47-49℃
• Refractive Index: 1.501
• Boiling Point: 248.7 °C at 760 mmHg
• Flash Point: 104.2 °C
• PSA: 33.02000
• Density: 1.14 g/cm³
• LogP: 2.09608
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 165.058992041
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

2-Ethoxy-6-fluorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C(=CC=C1)F)C#N

Technology Process of 2-Ethoxy-6-fluorobenzonitrile

There total 4 articles about 2-Ethoxy-6-fluorobenzonitrile 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: 79.0%

2,6 difluorobenzonitrile (1897-52-5) + sodium ethanolate (141-52-6) → 2-ethoxy-6-fluorobenzonitrile (119584-73-5)

Guidance literature:

In ethanol; at 0 ℃;

Reference yield: 67.0%

ethyl bromide (74-96-4) + 2-Fluoro-6-hydroxybenzonitrile (140675-43-0) → 2-ethoxy-6-fluorobenzonitrile (119584-73-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; Inert atmosphere;

Reference yield:

ethanol (64-17-5) + 2,6 difluorobenzonitrile (1897-52-5) → 2-ethoxy-6-fluorobenzonitrile (119584-73-5)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 6h; Inert atmosphere;

DOI:10.1021/jm2015952

upstream raw materials:

2,6 difluorobenzonitrile

sodium ethanolate

ethanol

ethyl bromide

Downstream raw materials:

3-cyano-4-ethoxy-2-fluorobenzoic acid

4-ethoxybenzo[d]isoxazol-3-amine

4-ethoxy-1H-indazol-3-amine

2-fluoro-3,5-diiodo-6-ethoxybenzonitrile

Refernces

• 1、 -. "USE OF A QUINAZOLINE COMPOUND IN PREPARING A MEDICAMENT AGAINST FLAVIVIRIDAE VIRUS". Paragraph 0057-0058. . Retrieved 2013/10/08.
• 2、 Hynes, John B.,Pathak, Alpana,Panos, Constantina H.,Okeke, Claudia C.. "Direct Synthesis of 2,4-Diaminoquinazolines from 2-Fluorobenzonitriles". . p. 1173 - 1177. Retrieved 2007/10/02.