Description

Di-tert-butyl 2,2′-(1,4-dioxo-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-2,5(1H,4H)-diyl)diacetate (CAS: 1669409-50-0) is a high-purity organic compound with the molecular formula C₂₆H₂₈N₂O₆S₂. This specialized chemical features a unique pyrrolo[3,4-c]pyrrole core functionalized with thiophene and tert-butyl acetate groups, making it an ideal building block for advanced materials research. Its structural complexity and electron-rich aromatic system are particularly valuable for applications in organic electronics, such as organic photovoltaics (OPVs) and field-effect transistors (OFETs). The compound is supplied as a solid with verified purity, ensuring consistency for synthetic and material science applications. Proper storage under inert conditions is recommended to maintain stability.

Properties

• CAS Number: 1669409-50-0
• Complexity: 954
• IUPAC Name: tert-butyl 2-[5-(2-tert-butoxy-2-oxo-ethyl)-3,6-dioxo-1,4-bis(2-thienyl)pyrrolo[3,4-c]pyrrol-2-yl]acetate
• InChI: InChI=1S/C26H28N2O6S2/c1-25(2,3)33-17(29)13-27-21(15-9-7-11-35-15)19-20(23(27)31)22(16-10-8-12-36-16)28(24(19)32)14-18(30)34-26(4,5)6/h7-12H,13-14H2,1-6H3
• InChI Key: AXHAQSUQDOTLAL-UHFFFAOYSA-N
• Exact Mass: 528.13887896
• Molecular Formula: C26H28N2O6S2
• Molecular Weight: 528.6
• SMILES: CC(C)(C)OC(=O)CN1C(=C2C(=C(N(C2=O)CC(=O)OC(C)(C)C)C3=CC=CS3)C1=O)C4=CC=CS4
• Topological: 150
• Monoisotopic Mass: 528.13887896
• Synonyms: 1669409-50-0, Di-tert-butyl 2,2′-(1,4-dioxo-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-2,5(1H,4H)-diyl)diacetate

Application

This compound serves as a key intermediate in the synthesis of conjugated polymers and small molecules for organic electronic devices. Its electron-accepting pyrrolo[3,4-c]pyrrole (DPP) core enhances charge transport properties in semiconducting materials. Researchers utilize it to develop high-performance donor-acceptor copolymers for photovoltaic applications. The thiophene substituents further improve π-conjugation and solubility in organic solvents.

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