Description

2-Thiophenecarboxaldehyde, 5-[4-(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-2,3,5,6-tetrahydro-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]- (CAS: 1858204-07-5) is a high-purity organic compound with the molecular formula C₃₁H₃₉BrN₂O₃S₂. This specialized chemical features a unique pyrrolo[3,4-c]pyrrole core functionalized with bromothiophene and thiophenecarboxaldehyde moieties, making it a valuable intermediate for advanced materials research. Its bis(2-ethylhexyl) side chains enhance solubility in organic solvents, facilitating processing in thin-film applications. With a molecular weight of 631.68 g/mol, this compound is particularly relevant in the development of organic semiconductors, dye-sensitized solar cells (DSSCs), and other optoelectronic devices. Available in research quantities, it is supplied with comprehensive analytical data including ¹H NMR, HPLC, and mass spectrometry to ensure quality and consistency for your experiments.

Properties

• CAS Number: 1858204-07-5
• Complexity: 983
• IUPAC Name: 5-[4-(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-3,6-dioxo-pyrrolo[3,4-c]pyrrol-1-yl]thiophene-2-carbaldehyde
• InChI: InChI=1S/C31H39BrN2O3S2/c1-5-9-11-20(7-3)17-33-28(23-14-13-22(19-35)38-23)26-27(31(33)37)29(24-15-16-25(32)39-24)34(30(26)36)18-21(8-4)12-10-6-2/h13-16,19-21H,5-12,17-18H2,1-4H3
• InChI Key: ITBLTAAYBUCTOQ-UHFFFAOYSA-N
• Exact Mass: 630.15855
• Molecular Formula: C31H39BrN2O3S2
• Molecular Weight: 631.7
• SMILES: CCCCC(CC)CN1C(=C2C(=C(N(C2=O)CC(CC)CCCC)C3=CC=C(S3)Br)C1=O)C4=CC=C(S4)C=O
• Topological: 114
• Monoisotopic Mass: 630.15855
• Synonyms: 1858204-07-5, 2-Thiophenecarboxaldehyde, 5-[4-(5-bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-2,3,5,6-tetrahydro-3,6-dioxopyrrolo[3,4-c]pyrrol-1-yl]-, DPP26-CHO-Br, MFCD34598484, 5-[4-(5-Bromo-2-thienyl)-2,5-bis(2-ethylhexyl)-3,6-dioxo-2,3,5,6-tetrahydropyrrolo[3,4-c]pyrrol-1-yl]thiophene-2-carbaldehyde, SY328277

Application

This compound serves as a key building block in the synthesis of donor-acceptor conjugated polymers for organic photovoltaics. Researchers utilize its electron-deficient pyrrolopyrrole dione (DPP) core to create low-bandgap materials with enhanced light absorption. The bromothiophene moiety enables further functionalization via cross-coupling reactions, while the aldehyde group provides an anchor for condensation reactions. Its applications extend to the development of near-infrared (NIR) dyes and as a precursor for small molecule organic semiconductors. The 2-ethylhexyl groups improve solution processability for spin-coating and inkjet printing applications.

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