2-Fluoro-5-nitroanisole

Base Information

• Chemical Name: 2-Fluoro-5-nitroanisole
• CAS No.: 454-16-0
• Molecular Formula: C7H6FNO3
• Molecular Weight: 171.128
• Hs Code.: 2909309090
• European Community (EC) Number: 688-393-0
• DSSTox Substance ID: DTXSID70560464
• Nikkaji Number: J3.423.632A
• Wikidata: Q72475160
• Mol file: 454-16-0.mol

Synonyms:2-fluoro-5-nitroanisole;454-16-0;1-fluoro-2-methoxy-4-nitrobenzene;4-Fluoro-3-methoxynitrobenzene;MFCD07782081;1-fluoro-2-methoxy-4-nitro-benzene;Benzene, 1-fluoro-2-methoxy-4-nitro-;2-fluoro-5-nitro anisole;SCHEMBL122944;3-methoxy-4-fluoronitrobenzene;2-Methoxy-4-nitrofluorobenzene;DTXSID70560464;AZNKKZHZGDZSIF-UHFFFAOYSA-N;BCP05879;CS-D1128;AKOS005063669;AC-9720;AM62540;1-Fluoro-2-(methyloxy)-4-nitrobenzene;AC-28618;AS-18664;SY014355;A19929;EN300-233504;J-509462

Chemical Property of 2-Fluoro-5-nitroanisole

Chemical Property:

• Vapor Pressure: 0.0114mmHg at 25°C
• Melting Point: 69-71 °C
• Refractive Index: 1.521
• Boiling Point: 270.3 °C at 760 mmHg
• Flash Point: 117.3 °C
• PSA: 55.05000
• Density: 1.321 g/cm³
• LogP: 2.26570
• Storage Temp.: Room temperature.
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 171.03317122
• Heavy Atom Count: 12
• Complexity: 171

Purity/Quality:

97% ^*data from raw suppliers

2-Fluoro-5-nitroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)[N+](=O)[O-])F

Technology Process of 2-Fluoro-5-nitroanisole

There total 4 articles about 2-Fluoro-5-nitroanisole 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: 73.5%

2-fluoro-5-nitrophenol (22510-08-3) + methyl iodide (74-88-4) → 1-fluoro-2-methoxy-4-nitrobenzene (454-16-0)

Guidance literature:

2-fluoro-5-nitrophenol; With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 0.25h;

methyl iodide; In N,N-dimethyl-formamide; at 20 ℃; for 2h;

Reference yield:

1-fluoro-2-methoxybenzene (321-28-8) → 1-fluoro-2-methoxy-4-nitrobenzene (454-16-0) + 2-fluoro-1-methoxy-4-nitrobenzene (455-93-6) + 1-fluoro-2-methoxy-3-nitrobenzene (484-94-6)

Guidance literature:

With sulfuric acid; nitric acid; at 0 ℃; for 0.5h; Yield given; Yields of byproduct given. Title compound not separated from byproducts;

DOI:10.1021/jo981557o

Reference yield:

2-methoxy-4-nitrophenylamine (97-52-9) → 1-fluoro-2-methoxy-4-nitrobenzene (454-16-0)

Guidance literature:

With pyridine; hydrogen fluoride; sodium nitrite; Product distribution; multistep reaction, various anilines under different reaction conditions;

upstream raw materials:

2-methoxy-4-nitrophenylamine

1-fluoro-2-methoxybenzene

2-fluoro-5-nitrophenol

methyl iodide

Downstream raw materials:

3-(2-methoxy-4-nitro-phenoxy)-azetidine-1-carboxylic acid tert-butyl ester

4-fluoro-3-methoxyaniline

1–(2-methoxy-4-nitrophenyl)-4-methylpiperazine

1-(2-methoxy-4-nitrophenyl)-4-methyl-1H-imidazole