1-Fluoro-3-methoxy-5-nitrobenzene

Base Information

• Chemical Name: 1-Fluoro-3-methoxy-5-nitrobenzene
• CAS No.: 7087-60-7
• Molecular Formula: C7H6FNO3
• Molecular Weight: 171.128
• Hs Code.: 2909309090
• European Community (EC) Number: 852-278-5
• NSC Number: 109620
• DSSTox Substance ID: DTXSID70296493
• Wikidata: Q82037118
• Mol file: 7087-60-7.mol

Synonyms:1-fluoro-3-methoxy-5-nitrobenzene;7087-60-7;3-Fluoro-5-nitroanisole;MFCD11848484;1-Fluoro-3-methoxy-5-nitro-benzene;NSC109620;SCHEMBL4824913;DTXSID70296493;FPDLQPICBDMTLB-UHFFFAOYSA-N;AKOS015853011;NSC-109620;SY028335;CS-0100493;EN300-106546;A866530

Chemical Property of 1-Fluoro-3-methoxy-5-nitrobenzene

Chemical Property:

• Vapor Pressure: 0.0473mmHg at 25°C
• Melting Point: 85 °C
• Boiling Point: 244.5°Cat760mmHg
• Flash Point: 101.7°C
• PSA: 55.05000
• Density: 1.321g/cm³
• LogP: 2.26570
• Storage Temp.: Room temperature.
• XLogP3: 1.8
• 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

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-Fluoro-3-methoxy-5-nitrobenzene

There total 5 articles about 1-Fluoro-3-methoxy-5-nitrobenzene 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: 91.0%

methanol (67-56-1) + 1,3-difluoro-5-nitrobenzene (2265-94-3) → 1-fluoro-3-methoxy-5-nitrobenzene (7087-60-7)

Guidance literature:

With sodium hydride; In 1-methyl-pyrrolidin-2-one; at 0 - 20 ℃;

DOI:10.1021/ja2058583

Reference yield: 61.0%

3-methoxy-5-nitroaniline (586-10-7) + isopentyl nitrite (110-46-3) → 1-fluoro-3-methoxy-5-nitrobenzene (7087-60-7)

Guidance literature:

With trifluoroborane diethyl ether; In 1,2-dimethoxyethane;

Reference yield:

→ 1-fluoro-3-methoxy-5-nitrobenzene (7087-60-7)

Guidance literature:

at 150 ℃;

upstream raw materials:

3-fluoro-5-nitrophenol

dimethyl sulfate

3-methoxy-5-nitroaniline

isopentyl nitrite

Downstream raw materials:

3-fluoro-5-methoxyphenylamine

4-(3-methoxy-5-nitrophenyl)morpholine

3-fluoro-5-iodophenol

1-fluoro-3-iodo-5-methoxybenzene