Description

3-Bromo-5-(ethoxycarbonyl)benzoic acid (CAS No. 2089325-52-8) is a high-purity organic compound with the molecular formula C₁₀H₉BrO₄, widely utilized in pharmaceutical and chemical research. This benzoic acid derivative features both a bromo substituent and an ethoxycarbonyl group, making it a versatile intermediate for synthesizing complex molecules. Its IUPAC name, 3-bromo-5-ethoxycarbonylbenzoic acid, reflects its precise structural configuration. Ideal for coupling reactions, esterifications, and other functional group transformations, this compound is supplied with rigorous quality control to ensure consistency in reactivity and purity. Suitable for laboratory-scale experiments and industrial applications, it is stored under recommended conditions to maintain stability.

Properties

• CAS Number: 2089325-52-8
• Complexity: 254
• IUPAC Name: 3-bromo-5-ethoxycarbonyl-benzoic acid
• InChI: InChI=1S/C10H9BrO4/c1-2-15-10(14)7-3-6(9(12)13)4-8(11)5-7/h3-5H,2H2,1H3,(H,12,13)
• InChI Key: VHJVUJLICXDBNL-UHFFFAOYSA-N
• Exact Mass: 271.96842
• Molecular Formula: C10H9BrO4
• Molecular Weight: 273.08
• SMILES: CCOC(=O)C1=CC(=CC(=C1)C(=O)O)Br
• Topological: 63.6
• Monoisotopic Mass: 271.96842
• Synonyms: 3-Bromo-5-(ethoxycarbonyl)benzoic acid, 2089325-52-8, 3-Bromo-5-(ethoxycarbonyl)benzoicacid, SCHEMBL1928502, 3-bromo-5-ethoxycarbonylbenzoic acid, AKOS030624040, BS-15817, CS-0161052, D83947

Application

3-Bromo-5-(ethoxycarbonyl)benzoic acid is primarily employed as a key intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. Its reactive bromo and carboxyl groups facilitate cross-coupling reactions, such as Suzuki or Heck reactions, for constructing biaryl systems. Researchers also utilize it in esterification processes to modify solubility or bioavailability of target compounds. This compound is valuable in medicinal chemistry for probing structure-activity relationships (SAR) in drug discovery.

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