Description

2,5-Dihydro-2,5-dioctyl-3,6-bis[5-(trimethylstannyl)-2-thienyl]pyrrolo[3,4-c]pyrrole-1,4-dione (CAS: 1613705-06-8) is a high-purity organotin compound featuring a unique pyrrolo[3,4-c]pyrrole-1,4-dione core functionalized with thienyl and trimethylstannyl groups. With the molecular formula C₃₆H₅₆N₂O₂S₂Sn₂, this specialized chemical is designed for advanced research applications, particularly in materials science and organic electronics. Its structural complexity and stannyl-thiophene moieties make it a valuable precursor for the synthesis of conjugated polymers, small-molecule semiconductors, and other functional materials. The dioctyl chains enhance solubility in organic solvents, facilitating processing for thin-film deposition. This compound is supplied with comprehensive analytical data (NMR, HPLC, MS) to ensure batch-to-batch consistency and reliability for demanding experimental workflows.

Properties

• CAS Number: 1613705-06-8
• Complexity: 993
• IUPAC Name: 2,5-dioctyl-1,4-bis(5-trimethylstannyl-2-thienyl)pyrrolo[3,4-c]pyrrole-3,6-dione
• InChI: InChI=1S/C30H38N2O2S2.6CH3.2Sn/c1-3-5-7-9-11-13-19-31-27(23-17-15-21-35-23)25-26(29(31)33)28(24-18-16-22-36-24)32(30(25)34)20-14-12-10-8-6-4-2;;;;;;;;/h15-18H,3-14,19-20H2,1-2H3;6*1H3;;
• InChI Key: PWDMVTDPBXXEPH-UHFFFAOYSA-N
• Exact Mass: 850.18213
• Molecular Formula: C36H56N2O2S2Sn2
• Molecular Weight: 850.4
• SMILES: CCCCCCCCN1C(=C2C(=C(N(C2=O)CCCCCCCC)C3=CC=C(S3)[Sn](C)(C)C)C1=O)C4=CC=C(S4)[Sn](C)(C)C
• Topological: 97.1
• Monoisotopic Mass: 852.18273
• Synonyms: 1613705-06-8, 2,5-Dihydro-2,5-dioctyl-3,6-bis[5-(trimethylstannyl)-2-thienyl]pyrrolo[3,4-c]pyrrole-1,4-dione, 2,5-Dioctyl-3,6-bis(5-(trimethylstannyl)thiophen-2-yl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione, F75462, Pyrrolo[3,4-c]pyrrole-1,4-dione,2,5-dihydro-2,5-dioctyl-3,6-bis[5-(trimethylstannyl)-2-thienyl]-

Application

This compound serves as a critical building block in the development of organic semiconductors and optoelectronic materials, particularly for polymer solar cells and field-effect transistors. Its electron-deficient pyrrolopyrrole core and stannyl groups enable efficient Stille cross-coupling reactions for constructing π-conjugated systems. Researchers utilize it to tune energy levels and charge transport properties in donor-acceptor copolymers. The compound’s extended conjugation also makes it suitable for investigating near-infrared (NIR) absorbing materials.

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