Description

Methyl 2-methyl-3-nitrobenzoate (CAS No. 59382-59-1) is a high-purity organic compound with the molecular formula C₉H₉NO₄. This aromatic ester is widely utilized in synthetic organic chemistry, pharmaceutical research, and material science due to its versatile reactivity and nitro-functionalized benzoate structure. The compound features a methyl ester group at the 1-position and a nitro substituent at the 3-position of a 2-methyl-substituted benzene ring, making it a valuable intermediate for further derivatization.

Our product is rigorously tested to ensure ≥98% purity (HPLC/GC) and is supplied as a crystalline solid with excellent shelf stability. It is packaged under inert conditions to prevent degradation and is ideal for use in nucleophilic substitutions, reduction reactions, and cross-coupling methodologies. Researchers can rely on this compound for consistent performance in heterocycle synthesis, agrochemical development, and ligand design.

Properties

• CAS Number: 59382-59-1
• Complexity: 235
• IUPAC Name: methyl 2-methyl-3-nitro-benzoate
• InChI: InChI=1S/C9H9NO4/c1-6-7(9(11)14-2)4-3-5-8(6)10(12)13/h3-5H,1-2H3
• InChI Key: CRZGFIMLHZTLGT-UHFFFAOYSA-N
• Exact Mass: 195.05315777
• Molecular Formula: C9H9NO4
• Molecular Weight: 195.17
• SMILES: CC1=C(C=CC=C1[N+](=O)[O-])C(=O)OC
• Topological: 72.1
• Monoisotopic Mass: 195.05315777
• Synonyms: Methyl 2-methyl-3-nitrobenzoate, 59382-59-1, DTXSID30345017, DTXCID90296091, 640-506-4, Benzoic acid, 2-methyl-3-nitro-, methyl ester, Methyl 3-nitro-o-toluate, 2-Methyl-3-nitrobenzoic Acid Methyl Ester, MFCD00082564, Methyl2-Methyl-3-nitrobenzoate, Benzoic acid, 2-methyl-3-nitro-, methyl ester; o-Toluic acid, 3-nitro-, methyl ester (6CI); 2-Methyl-3-nitrobenzoic acid methyl ester; Methyl 2-methyl-3-nitrobenzoate; Methyl 3-nitro-2-methylbenzoate, K93HM6K2VM, SCHEMBL307312, ALBB-023475, BCP21848, CS-B0152, Methyl 2-methyl-3-nitrobenzoate #, STR08156, 3-Nitro-o-toluic Acid Methyl Ester, AB9754, SBB064157, AKOS003390080, AB03098, AC-4829, FM15935, Methyl 2-methyl-3-nitrobenzoate, 97%, BP-10734, SY004356, 2-Methyl-3-nitro-benzoic acid methyl ester, 2-methyl-3-nitrobenzoic acid, methyl ester, M2144, ST45026651, EN300-306275, Benzoic acid, 2-methyl-3-nitro-, methyl esters, 10B-068, Methyl 3-nitro-o-toluate pound>>2-Methyl-3-nitrobenzoic Acid Methyl Ester

Application

Methyl 2-methyl-3-nitrobenzoate serves as a key precursor in the synthesis of pharmaceutical intermediates, particularly for nonsteroidal anti-inflammatory drugs (NSAIDs) and kinase inhibitors. Its nitro group enables selective reduction to amines or participation in cyclization reactions to form indoles and benzimidazoles. The compound is also employed in material science for designing photoactive polymers and as a building block for liquid crystal derivatives.

Safety and Hazards

GHS Hazard Statements

• H315 (75%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (75%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (75%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (75%)
• Eye Irrit. 2A (75%)
• STOT SE 3 (75%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.