Description

2,5-Bis(2-ethylhexyl)-3-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)-6-(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione (CAS No. 2197974-48-2) is a high-purity, boron-containing organic compound with the molecular formula C₃₆H₅₁BN₂O₄S₂. This advanced chemical features a unique pyrrolo[3,4-c]pyrrole-1,4-dione core functionalized with thiophene and 2-ethylhexyl groups, as well as a 4,4,5,5-tetramethyl-1,3,2-dioxaborolane moiety. Its extended π-conjugated system and electron-deficient structure make it an excellent candidate for organic electronic applications. This compound is supplied as a solid with strict quality control to ensure consistency in research and industrial applications. Ideal for use in polymer chemistry, materials science, and optoelectronic device development.

Properties

• CAS Number: 2197974-48-2
• Complexity: 1150
• IUPAC Name: 2,5-bis(2-ethylhexyl)-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thienyl]-1-(2-thienyl)pyrrolo[3,4-c]pyrrole-3,6-dione
• InChI: InChI=1S/C36H51BN2O4S2/c1-9-13-16-24(11-3)22-38-31(26-18-15-21-44-26)29-30(34(38)41)32(39(33(29)40)23-25(12-4)17-14-10-2)27-19-20-28(45-27)37-42-35(5,6)36(7,8)43-37/h15,18-21,24-25H,9-14,16-17,22-23H2,1-8H3
• InChI Key: RCCADSZHTGVUIG-UHFFFAOYSA-N
• Exact Mass: 650.3383306
• Molecular Formula: C36H51BN2O4S2
• Molecular Weight: 650.7
• SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=C(S2)C3=C4C(=C(N(C4=O)CC(CC)CCCC)C5=CC=CS5)C(=O)N3CC(CC)CCCC
• Topological: 116
• Monoisotopic Mass: 650.3383306
• Synonyms: 2,5-Bis(2-ethylhexyl)-3-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl)-6-(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione, 2197974-48-2, G63063

Application

This compound is primarily used as a key intermediate in the synthesis of conjugated polymers for organic electronics, such as organic photovoltaics (OPVs) and organic field-effect transistors (OFETs). Its boronate ester functionality enables efficient Suzuki-Miyaura cross-coupling reactions for constructing π-conjugated systems. Researchers also utilize it in the development of near-infrared (NIR) absorbing materials and as an electron-accepting building block in donor-acceptor copolymers. The thiophene and pyrrolodione moieties contribute to enhanced charge transport properties in organic semiconductor applications.

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