Description

Diethyl(6-bromohexyl)propanedioate (CAS No. 6557-85-3) is a highly specialized brominated malonate ester with the molecular formula C₁₃H₂₃BrO₄. This compound is widely utilized in organic synthesis and pharmaceutical research due to its reactive bromohexyl group and malonate functionality, making it a versatile intermediate for nucleophilic substitution reactions, alkylations, and cyclizations. The product is supplied as a high-purity liquid with exceptional consistency, ensuring reliable performance in complex synthetic pathways. Ideal for researchers and chemists working on drug discovery, material science, and fine chemical production, this compound is stored under inert conditions to maintain stability and shelf life. Available in various quantities, it meets the stringent requirements of academic, industrial, and pharmaceutical laboratories.

Properties

• CAS Number: 6557-85-3
• Complexity: 225
• IUPAC Name: diethyl 2-(6-bromohexyl)propanedioate
• InChI: InChI=1S/C13H23BrO4/c1-3-17-12(15)11(13(16)18-4-2)9-7-5-6-8-10-14/h11H,3-10H2,1-2H3
• InChI Key: UEOSPPIPGYKPTO-UHFFFAOYSA-N
• Exact Mass: 322.07797
• Molecular Formula: C13H23BrO4
• Molecular Weight: 323.22
• SMILES: CCOC(=O)C(CCCCCCBr)C(=O)OCC
• Topological: 52.6
• Monoisotopic Mass: 322.07797
• Synonyms: 6557-85-3, diethyl(6-bromohexyl)propanedioate, DIETHYL (6-BROMOHEXYL)MALONATE, diethyl 2-(6-bromohexyl)propanedioate, Diethyl 2-(6-bromohexyl)malonate, NSC54804, NCIOpen2_007186, SCHEMBL1702872, Propanedioic acid,2-(6-bromohexyl)-, 1,3-diethyl ester, DTXSID80288228, NSC-54804, AKOS024390565, diethyl 2-(6-bromohexyl)propane-1,3-dioate, ST51045818, H42740, Propanedioic acid,2-(6-bromohexyl)-,1,3-diethyl ester

Diethyl(6-bromohexyl)propanedioate serves as a key intermediate in the synthesis of pharmaceuticals, agrochemicals, and advanced materials. Its bromohexyl group facilitates carbon-carbon bond formation via nucleophilic substitution, while the malonate moiety enables further functionalization through decarboxylative coupling or cyclization reactions. Researchers employ this compound in the development of bioactive molecules, including enzyme inhibitors and prodrugs. It is also used in polymer chemistry to modify chain lengths or introduce reactive handles for cross-linking.

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