Description

Diethyl 2-bromo-5-chloroterephthalate (CAS No. 340148-60-9) is a high-purity organic compound with the molecular formula C₁₂H₁₂BrClO₄. This specialized ester derivative of terephthalic acid features bromo and chloro functional groups at the 2- and 5-positions, respectively, making it a valuable intermediate for pharmaceutical, agrochemical, and materials science research. The compound is supplied as a crystalline solid with >95% purity (HPLC) and is rigorously tested for consistency in quality. Its unique structure enables versatile applications in cross-coupling reactions, polymer modification, and as a precursor for advanced organic synthesis. Packaged under inert gas to ensure stability, this product is ideal for researchers requiring precise control over molecular architecture.

Properties

• CAS Number: 340148-60-9
• Complexity: 310
• IUPAC Name: diethyl 2-bromo-5-chloro-benzene-1,4-dicarboxylate
• InChI: InChI=1S/C12H12BrClO4/c1-3-17-11(15)7-6-10(14)8(5-9(7)13)12(16)18-4-2/h5-6H,3-4H2,1-2H3
• InChI Key: UAEJDZNOMOQBMF-UHFFFAOYSA-N
• Exact Mass: 333.96075
• Molecular Formula: C12H12BrClO4
• Molecular Weight: 335.58
• SMILES: CCOC(=O)C1=CC(=C(C=C1Br)C(=O)OCC)Cl
• Topological: 52.6
• Monoisotopic Mass: 333.96075
• Synonyms: diethyl 2-bromo-5-chloroterephthalate, 340148-60-9, 2-Bromo-5-chloroterephthalic acid diethyl ester, diethyl 2-bromo-5-chlorobenzene-1,4-dicarboxylate, SCHEMBL1560843, diethyl2-bromo-5-chloroterephthalate, MFCD12407164, AKOS015890458, DB-319143, Diethyl 2-bromo-5-chlorobenzene-1,4- dicarboxylate

Application

Diethyl 2-bromo-5-chloroterephthalate serves as a key building block in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions for synthesizing complex aromatic systems. It is particularly useful in the development of liquid crystal materials and photoactive polymers due to its rigid terephthalate core and halogen substituents. Researchers also employ this compound as a precursor for functionalized metal-organic frameworks (MOFs) and covalent organic frameworks (COFs).

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