Description

(4,4-Bis(4-hexylphenyl)-4H-cyclopenta[1,2-b:5,4-b’]dithiophene-2,6-diyl)bis(trimethylstannane) (CAS: 2416095-99-1) is a high-purity organotin compound designed for advanced research applications, particularly in the field of organic electronics and materials science. With the molecular formula C₃₉H₅₄S₂Sn₂, this compound features a unique cyclopentadithiophene core functionalized with hexylphenyl groups and trimethylstannyl moieties, making it an excellent candidate for use in polymer synthesis, organic semiconductors, and photovoltaic materials. Its precise structure, confirmed by IUPAC nomenclature as [7,7-bis(4-hexylphenyl)-10-trimethylstannyl-3,11-dithiatricyclo[6.3.0.0^2,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylstannane, ensures consistent performance in Stille coupling reactions and other metal-catalyzed transformations. Packaged under inert conditions to guarantee stability, this product is ideal for researchers requiring reliable building blocks for conjugated polymers and small-molecule optoelectronic materials.

Properties

• CAS Number: 2416095-99-1
• Complexity: 774
• IUPAC Name: [7,7-bis(4-hexylphenyl)-10-trimethylstannyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethyl-stannane
• InChI: InChI=1S/C33H36S2.6CH3.2Sn/c1-3-5-7-9-11-25-13-17-27(18-14-25)33(28-19-15-26(16-20-28)12-10-8-6-4-2)29-21-23-34-31(29)32-30(33)22-24-35-32;;;;;;;;/h13-22H,3-12H2,1-2H3;6*1H3;;
• InChI Key: KCUCZTPAXJDTIE-UHFFFAOYSA-N
• Exact Mass: 824.17050
• Molecular Formula: C39H54S2Sn2
• Molecular Weight: 824.4
• SMILES: CCCCCCC1=CC=C(C=C1)C2(C3=C(C4=C2C=C(S4)[Sn](C)(C)C)SC(=C3)[Sn](C)(C)C)C5=CC=C(C=C5)CCCCCC
• Topological: 56.5
• Monoisotopic Mass: 826.17110
• Synonyms: (4,4-Bis(4-hexylphenyl)-4H-cyclopenta[1,2-b:5,4-b’]dithiophene-2,6-diyl)bis(trimethylstannane), 2416095-99-1, E75493, [7,7-bis(4-hexylphenyl)-10-trimethylstannyl-3,11-dithiatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]-trimethylstannane

Application

This compound is primarily used as a key monomer in Stille polycondensation reactions for synthesizing conjugated polymers with tailored electronic properties. Its structure enables the development of high-performance organic semiconductors for applications in organic photovoltaics (OPVs) and field-effect transistors (OFETs). Researchers also utilize it to create donor-acceptor copolymers with enhanced charge carrier mobility and light absorption characteristics. The hexylphenyl substituents improve solubility in common organic solvents, facilitating solution-processable device fabrication.

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