5-Fluoro-2-nitroanisole

Base Information

• Chemical Name: 5-Fluoro-2-nitroanisole
• CAS No.: 448-19-1
• Molecular Formula: C7H6FNO3
• Molecular Weight: 171.128
• Hs Code.: 2909309090
• European Community (EC) Number: 675-631-3
• DSSTox Substance ID: DTXSID90381350
• Nikkaji Number: J2.571.677I
• Wikidata: Q72475153
• Mol file: 448-19-1.mol

Synonyms:Anisole,5-fluoro-2-nitro- (8CI);1-Fluoro-3-methoxy-4-nitrobenzene;2-Methoxy-4-fluoronitrobenzene;2-Nitro-5-fluoroanisole;3-Methoxy-4-nitrofluorobenzene;4-Fluoro-2-(methyloxy)-1-nitrobenzene;4-Fluoro-2-methoxynitrobenzene;5-Fluoro-2-nitrophenylmethyl ether;

Chemical Property of 5-Fluoro-2-nitroanisole

Chemical Property:

• Melting Point: 49-51 °C
• Boiling Point: 245.8 °C at 760 mmHg
• Flash Point: 102.5 °C
• PSA: 55.05000
• Density: 1.321 g/cm³
• LogP: 2.26570
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• 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:

98% ^*data from raw suppliers

3-Fluoro-6-nitroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22-52

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)F)[N+](=O)[O-]
• Uses: 3-Fluoro-6-nitroanisole is a reagent used in the synthetic preparation of imidazopyridines as inhibitors of insulin-like growth factor-1 receptor.

Technology Process of 5-Fluoro-2-nitroanisole

There total 15 articles about 5-Fluoro-2-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: 100.0%

5-fluoro-2-nitrophenol (446-36-6) + methyl iodide (74-88-4) → 4-fluoro-2-methoxy-1-nitrobenzene (448-19-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 60 ℃; Cooling with ice;

Reference yield: 100.0%

5-fluoro-2-nitrophenol (446-36-6) → 4-fluoro-2-methoxy-1-nitrobenzene (448-19-1)

Guidance literature:

With potassium carbonate; dimethyl sulfate; In acetone; at 20 ℃; for 24h;

Reference yield: 98.0%

5-fluoro-2-nitrophenol (446-36-6) → 4-fluoro-2-methoxy-1-nitrobenzene (448-19-1)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 40 ℃;

DOI:10.1016/j.inoche.2015.03.042

upstream raw materials:

2,4-Difluoronitrobenzene

sodium methylate

1-fluoro-3-methoxybenzene

potassium methanolate

Downstream raw materials:

4-nitro-3-methoxyphenol

2-(3-Methoxy-4-nitro-phenyl)-2-methyl-malonic acid diethyl ester

2-<3-Hydroxy-4-(thiazol-2-yl)phenyl>propionic Acid

2-<3-Methoxy-4-(thiazol-2-yl)phenyl>propionic Acid

Refernces

• 1、 Chetty, Sarentha,Armstrong, Tom,Sharma Kharkwal, Shalu,Drewe, William C.,De Matteis, Cristina I.,Evangelopoulos, Dimitrios,Bhakta, Sanjib,Thomas, Neil R.. "New inha inhibitors based on expanded triclosan and di-triclosan analogues to develop a new treatment for tuberculosis". . . Retrieved 2021/05/03.
• 2、 Fawwaz, Muammar,Mishiro, Kenji,Nishii, Ryuichi,Makino, Akira,Kiyono, Yasushi,Shiba, Kazuhiro,Kinuya, Seigo,Ogawa, Kazuma. "A radiobrominated tyrosine kinase inhibitor for egfr with l858r/t790m mutations in lung carcinoma". . . Retrieved 2021/03/29.