Methyl 5-Fluoro-3-Methyl-2-Nitrobenzoate: Key FAQs

Methyl 5-fluoro-3-methyl-2-nitrobenzoate is a fluorinated aromatic building block featuring both a nitro and an ester functional group, making it a versatile intermediate widely used in pharmaceutical and agrochemical synthesis.

Chemical Name

Methyl 5-fluoro-3-methyl-2-nitrobenzoate

SKU / Catalog Number

M733568

Functional Groups

Nitro (–NO₂), ester (–COOCH₃), aryl fluoride (Ar–F), and methyl substituent

Primary Application

Synthetic intermediate for pharmaceuticals, agrochemicals, and specialty fine chemicals

Compound Class

Fluorinated nitrobenzoate ester (aromatic building block)

Supplier

Aladdin Scientific

What Is Methyl 5-Fluoro-3-Methyl-2-Nitrobenzoate?

Methyl 5-fluoro-3-methyl-2-nitrobenzoate is a substituted benzoate ester bearing three key substituents on the aromatic ring: a fluorine atom at the 5-position, a methyl group at the 3-position, and a nitro group at the 2-position ortho to the ester. The methyl ester moiety (–COOCH₃) provides a versatile handle for further chemical transformations such as hydrolysis, reduction, or coupling reactions.

This combination of electron-withdrawing (nitro, fluorine) and mildly electron-donating (methyl) groups creates a polarized aromatic system that is particularly reactive toward nucleophilic aromatic substitution (SNAr) at the fluorine-bearing carbon, making it a prized intermediate in medicinal chemistry and process chemistry workflows.

What Are the Typical Applications of This Compound?

Methyl 5-fluoro-3-methyl-2-nitrobenzoate serves primarily as a synthetic building block in the preparation of biologically active molecules. Key application areas include:

• Pharmaceutical synthesis: The aryl fluoride and nitro groups allow sequential functionalization — SNAr displacement of fluorine followed by nitro group reduction to an amine — enabling rapid construction of complex heterocyclic or biaryl scaffolds found in drug candidates.
• Agrochemical intermediates: Fluorinated aromatic intermediates are commonly employed in the synthesis of herbicides, fungicides, and insecticides, where the fluorine atom enhances metabolic stability and lipophilicity.
• Fine chemical and materials research: The compound can serve as a precursor to fluorinated benzoic acids, amines, or alcohols for use in liquid crystal research, polymer chemistry, or as analytical standards.

Researchers should evaluate reaction conditions carefully, as the ortho nitro group can influence the reactivity and regioselectivity of transformations at adjacent positions.

How Should This Compound Be Handled and Stored?

As with all nitroaromatic compounds, Methyl 5-fluoro-3-methyl-2-nitrobenzoate should be handled with appropriate precautions:

• Personal protective equipment (PPE): Wear chemical-resistant gloves, lab coat, and safety goggles. Work in a well-ventilated fume hood to avoid inhalation of dust or vapors.
• Storage: Store in a cool, dry, well-ventilated location away from heat sources, open flames, and strong reducing agents or bases. Keep the container tightly sealed when not in use.
• Waste disposal: Dispose of waste in accordance with local, regional, and national regulations governing aromatic nitro compounds and fluorinated chemicals.

Always consult the Safety Data Sheet (SDS) provided by Aladdin Scientific for complete hazard information, first-aid measures, and regulatory classifications before working with this material. Specific physical hazard data and GHS classifications should be confirmed from the official SDS.

How to Order Methyl 5-Fluoro-3-Methyl-2-Nitrobenzoate from Aladdin Scientific

Methyl 5-fluoro-3-methyl-2-nitrobenzoate is available from Aladdin Scientific under catalog number M733568. To place an order:

1. Search for the catalog number M733568 or the full chemical name on the Aladdin Scientific website.
2. Select the desired pack size and purity grade from the product page.
3. Add to cart and proceed through the standard checkout process, or contact your Aladdin Scientific account representative for bulk pricing, custom packaging, or institutional purchase orders.

For questions about availability, lead times, certificates of analysis (CoA), or technical specifications, please contact Aladdin Scientific customer support directly. Registered account holders may also track order status and access documentation through the online account portal.

Frequently asked questions

What is the catalog number for Methyl 5-fluoro-3-methyl-2-nitrobenzoate at Aladdin Scientific?

Methyl 5-fluoro-3-methyl-2-nitrobenzoate is listed under catalog number M733568 at Aladdin Scientific. You can search this SKU directly on the Aladdin website to access product details, available pack sizes, and certificates of analysis.

What makes Methyl 5-fluoro-3-methyl-2-nitrobenzoate useful as a synthetic building block?

The compound contains three reactive or directing functional groups on a single aromatic ring: an aryl fluoride susceptible to nucleophilic aromatic substitution, a nitro group that can be reduced to an amine for further coupling chemistry, and a methyl ester amenable to hydrolysis or nucleophilic addition. This multifunctionality enables divergent synthesis pathways from a single starting material, which is highly valuable in medicinal chemistry and lead optimization programs.

What precautions should I take when handling this nitroaromatic compound in the laboratory?

Always handle Methyl 5-fluoro-3-methyl-2-nitrobenzoate in a well-ventilated fume hood while wearing appropriate PPE, including chemical-resistant gloves, safety goggles, and a lab coat. Store the compound in a cool, dry location away from reducing agents and ignition sources. Consult the Aladdin Scientific Safety Data Sheet (SDS) for full hazard classifications, first-aid procedures, and disposal guidelines before use.

Can this compound be used for nucleophilic aromatic substitution reactions?

Yes. The aryl fluoride in Methyl 5-fluoro-3-methyl-2-nitrobenzoate is activated toward nucleophilic aromatic substitution (SNAr) by the ortho nitro group, which stabilizes the Meisenheimer complex intermediate by withdrawing electron density from the ring. This makes the fluorine an excellent leaving group for displacement by amines, alkoxides, thiols, and other nucleophiles under appropriate conditions.

How do I obtain a Certificate of Analysis (CoA) for M733568?

Certificates of Analysis for Methyl 5-fluoro-3-methyl-2-nitrobenzoate (M733568) can be requested through the Aladdin Scientific website by entering the lot number on the CoA search page, or by contacting Aladdin Scientific customer support directly with your order details.

References

1. March, J. Advanced Organic Chemistry: Reactions, Mechanisms, and Structure, 4th ed.; Wiley-Interscience: New York, 1992. (General reference for nucleophilic aromatic substitution and nitroaromatic chemistry.)
2. Hiyama, T. Organofluorine Compounds: Chemistry and Applications; Springer: Berlin, 2000. (Reference for the role of aryl fluorides in synthesis and SNAr reactivity.)
3. Aladdin Scientific product page for Methyl 5-fluoro-3-methyl-2-nitrobenzoate, SKU M733568. (Primary source for product identity and availability.)

Products are supplied for research and development use only. Not for use in humans, animals, diagnosis, or therapy.