3-Fluoro-2-nitroanisole

Base Information

• Chemical Name: 3-Fluoro-2-nitroanisole
• CAS No.: 641-49-6
• Molecular Formula: C7H6FNO3
• Molecular Weight: 171.128
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID70382284
• Wikidata: Q72475149
• Mol file: 641-49-6.mol

Synonyms:3-Fluoro-2-nitroanisole;641-49-6;1-fluoro-3-methoxy-2-nitrobenzene;2-FLUORO-6-METHOXYNITROBENZENE;1-fluoro-3-methoxy-2-nitro-benzene;Benzene, 1-fluoro-3-methoxy-2-nitro-;MFCD07368752;3-Fluoro-2-nitroanisol;SCHEMBL6117;2-fluoro-6-methoxy-nitrobenzene;DTXSID70382284;GMWOSSBFNSZKAH-UHFFFAOYSA-N;TD1307;3-fluoro-2-nitroanisole, AldrichCPR;AKOS009157812;CS-W003385;GS-4381;SB38090;1-Fluoro-3-(methyloxy)-2-nitrobenzene;SY018981;AM20050087;FT-0648667;EN300-133786;A867941;J-512463

Chemical Property of 3-Fluoro-2-nitroanisole

Chemical Property:

• Vapor Pressure: 0.028mmHg at 25°C
• Refractive Index: 1.522
• Boiling Point: 254.011 °C at 760 mmHg
• Flash Point: 107.422 °C
• PSA: 55.05000
• Density: 1.322 g/cm³
• LogP: 2.26570
• Storage Temp.: Sealed in dry,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-2-nitroanisole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=CC=C1)F)[N+](=O)[O-]
• Use Description: 2-Fluoro-6-methoxynitrobenzene is a chemical compound with applications in various fields. In the pharmaceutical and agrochemical industries, it serves as a key intermediate in the synthesis of pharmaceuticals and agrochemical compounds. Its role is pivotal in the structural modification of molecules, enabling the creation of novel drug candidates and pesticides with potential therapeutic and agricultural benefits. Additionally, in academic research and organic chemistry, 2-Fluoro-6-Methoxynitrobenzene can be employed as a building block for the synthesis of complex organic molecules, facilitating studies in chemical synthesis and the development of new chemical reactions and methodologies. Its multifaceted applications underscore its significance in drug discovery, agricultural research, and the advancement of chemical science, ultimately contributing to the improvement of healthcare and agriculture practices and scientific knowledge.

Technology Process of 3-Fluoro-2-nitroanisole

There total 8 articles about 3-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: 95.0%

methanol (67-56-1) + 2,6-difluoro-1-nitrobenzene (19064-24-5) → 1-fluoro-3-methoxy-2-nitrobenzene (641-49-6)

Guidance literature:

With potassium hydroxide; for 3h; Heating / reflux;

Reference yield: 91.0%

2,6-difluoro-1-nitrobenzene (19064-24-5) + sodium methylate (124-41-4) → 1-fluoro-3-methoxy-2-nitrobenzene (641-49-6)

Guidance literature:

In methanol; at 20 ℃; for 15h;

DOI:10.1002/cmdc.201700228

Reference yield: 71.0%

2-nitro-3-fluorophenol (385-01-3) + methyl iodide (74-88-4) → 1-fluoro-3-methoxy-2-nitrobenzene (641-49-6)

Guidance literature:

With potassium carbonate; In acetonitrile; at 70 ℃;

DOI:10.1055/s-0039-1691524

upstream raw materials:

2-nitro-3-fluorophenol

dimethyl sulfate

3-methoxy-2-nitroaniline

2,6-difluoro-1-nitrobenzene

Downstream raw materials:

2-nitro-3-fluorophenol

ethyl 4-{[2-amino-3-(methyloxy)phenyl]amino}-1-piperidinecarboxylate

2-methyl-4-hydroxybenzothiazole

4-methoxy-2-methylbenzo[d]thiazole

Refernces

6-Halogenochromones Bearing Tryptamine: One-Step Access to Potent and Highly Selective Inhibitors of Breast Cancer Resistance Protein

10.1002/cmdc.201200154

The research focuses on the development of potent and highly selective inhibitors of the breast cancer resistance protein (ABCG2), a key factor in multidrug resistance in cancer cells. The study reports a one-step synthesis method for 6-halogenochromones linked to a tryptamine unit, which were evaluated for their inhibitory activity against ABCG2. The synthesis involved coupling 6-substituted-4-oxo-4H-chromene-2-carboxylic acid with tryptamine using bis(2-oxo-3-oxazolidinyl)phosphonic chloride (BOP-Cl) as the coupling agent. The synthesized compounds were screened for their effects on the inhibition of mitoxantrone efflux in ABCG2-transfected HEK293 cells, using flow cytometry. The most active compounds were further tested for selectivity against P-gp/ABCB1 and MRP1/ABCC1 transporters and evaluated for their cytotoxicity and ability to chemosensitize cancer cells to anticancer drugs like mitoxantrone and SN-38. The experiments included assays for drug transport, cytotoxicity, and sensitization to anticancer drugs, with analyses performed using flow cytometry and MTT colorimetric assays.

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