Description

2-(Ethoxycarbonyl)-6-nitrobenzoic acid (CAS No. 16533-45-2) is a high-purity nitrobenzoic acid derivative with the molecular formula C₁₀H₉NO₆. This compound features both an ethoxycarbonyl and a nitro functional group ortho to a carboxylic acid, making it a versatile intermediate in organic synthesis and pharmaceutical research. It is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency, ensuring optimal performance in demanding applications. Ideal for use in coupling reactions, heterocycle synthesis, and as a precursor for advanced chemical scaffolds. Store in a cool, dry place away from light and moisture to maintain stability.

Properties

• CAS Number: 16533-45-2
• Complexity: 323
• IUPAC Name: 2-ethoxycarbonyl-6-nitro-benzoic acid
• InChI: InChI=1S/C10H9NO6/c1-2-17-10(14)6-4-3-5-7(11(15)16)8(6)9(12)13/h3-5H,2H2,1H3,(H,12,13)
• InChI Key: SZAOZGFHEAVFMM-UHFFFAOYSA-N
• Exact Mass: 239.04298701
• Molecular Formula: C10H9NO6
• Molecular Weight: 239.18
• SMILES: CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)O
• Topological: 109
• Monoisotopic Mass: 239.04298701
• Synonyms: 2-(ETHOXYCARBONYL)-6-NITROBENZOIC ACID, 16533-45-2, 2-ethoxycarbonyl-6-nitrobenzoic acid, MFCD01365751, SCHEMBL1096955, Ethyl 2-carboxy-3-nitrobenzoate, SZAOZGFHEAVFMM-UHFFFAOYSA-N, AKOS016011682, CS-W006239, DS-2869, 2-CARBOXY-3-ETHYL NITROBENZOATE, 2-(ethoxycarbonyl) -6-nitrobenzoic acid, SY103119, 2-(ETHOXYCARBONYL)-6-NITROBENZOICACID, EN300-7403112, Z1741982278

Application

2-(Ethoxycarbonyl)-6-nitrobenzoic acid is widely used as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Its reactive functional groups enable participation in nucleophilic substitutions, esterifications, and cyclization reactions. Researchers utilize this compound in the development of novel heterocyclic compounds and as a building block for drug discovery. It is particularly valuable in the preparation of benzodiazepine analogs and other nitrogen-containing scaffolds.

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