Description

Octyl 4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate (CAS: 1160823-76-6) is a high-purity, synthetic organic compound with the molecular formula C₁₅H₁₇Br₂FO₂S₂. This specialized thienothiophene derivative features a unique dibromo-fluoro substitution pattern, making it a valuable building block for advanced materials research, particularly in the development of organic semiconductors, conductive polymers, and photovoltaic applications. The octyl ester moiety enhances solubility in organic solvents, facilitating processing for thin-film deposition. Our product is rigorously characterized by HPLC, NMR, and mass spectrometry to ensure ≥95% purity, meeting the stringent requirements of materials science and pharmaceutical research. Supplied in amber glass vials under inert atmosphere to ensure stability, this compound is ideal for researchers exploring novel electronic materials or heterocyclic chemistry.

Properties

• CAS Number: 1160823-76-6
• Complexity: 375
• IUPAC Name: octyl 4,6-dibromo-3-fluoro-thieno[2,3-c]thiophene-2-carboxylate
• InChI: InChI=1S/C15H17Br2FO2S2/c1-2-3-4-5-6-7-8-20-15(19)12-10(18)9-11(21-12)14(17)22-13(9)16/h2-8H2,1H3
• InChI Key: AXLMQOPQPUEOQD-UHFFFAOYSA-N
• Exact Mass: 471.90003
• Molecular Formula: C15H17Br2FO2S2
• Molecular Weight: 472.2
• SMILES: CCCCCCCCOC(=O)C1=C(C2=C(SC(=C2S1)Br)Br)F
• Topological: 82.8
• Monoisotopic Mass: 469.90208
• Synonyms: 1160823-76-6, Octyl 4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate, octyl 4,6-dibromo-3-fluorothieno[2,3-c]thiophene-2-carboxylate, Thieno[3,4-b]thiophene-2-carboxylic acid, 4,6-dibromo-3-fluoro-, octyl ester, n-Octyl 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate, Octyl4,6-dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylate, 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylic acid octyl ester, MFCD19440962, SCHEMBL12622743, DTXSID10729053, DB-343932, O0436, D91871, 4,6-Dibromo-3-fluorothieno[3,4-b]thiophene-2-carboxylic Acid n-Octyl Ester, 3-cyclohexyl-1-[[5-(4-ethylpiperazin-1-yl)-3-methyl-1-phenylpyrazol-4-yl]methyl]-1-(3-methylbutyl)urea

Application

This compound serves as a key intermediate in the synthesis of advanced organic electronic materials, particularly for organic field-effect transistors (OFETs) and organic photovoltaics (OPVs) due to its electron-deficient thienothiophene core. The dibromo-fluoro substitution pattern allows for further functionalization via cross-coupling reactions, enabling tuning of electronic properties. Researchers utilize it to develop low-bandgap polymers for efficient light absorption in solar cells. Its solubility-enhancing octyl ester makes it particularly useful for solution-processed device fabrication.

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