Description

Trimethyl-(9,9,18,18-tetrahexyl-15-trimethylstannyl-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl)stannane (CAS: 1569453-45-7) is a highly specialized organotin compound with the molecular formula C₄₄H₇₄S₂Si₂Sn₂. This complex heterocyclic structure features dual stannane (Sn) centers, silicon (Si) bridges, and sulfur (S) heteroatoms within a rigid pentacyclic framework. The presence of hexyl side chains enhances solubility in organic solvents, while the trimethylstannyl groups serve as reactive sites for further functionalization. This compound is supplied as a high-purity solid (>95%) and is ideal for advanced applications in materials science, particularly in the synthesis of organometallic polymers or as a precursor for Stille cross-coupling reactions. Store under inert gas at -20°C to prevent degradation.

Properties

• CAS Number: 1569453-45-7
• Complexity: 920
• IUPAC Name: trimethyl-(9,9,18,18-tetrahexyl-15-trimethylstannyl-5,14-dithia-9,18-disilapentacyclo[10.6.0.03,10.04,8.013,17]octadeca-1(12),2,4(8),6,10,13(17),15-heptaen-6-yl)stannane
• InChI: InChI=1S/C38H56S2Si2.6CH3.2Sn/c1-5-9-13-17-25-41(26-18-14-10-6-2)33-21-23-39-37(33)31-30-36-32(29-35(31)41)38-34(22-24-40-38)42(36,27-19-15-11-7-3)28-20-16-12-8-4;;;;;;;;/h21-22,29-30H,5-20,25-28H2,1-4H3;6*1H3;;
• InChI Key: ZXGMNVMWPDONRI-UHFFFAOYSA-N
• Exact Mass: 960.28086
• Molecular Formula: C44H74S2Si2Sn2
• Molecular Weight: 960.8
• SMILES: CCCCCC[Si]1(C2=CC3=C(C=C2C4=C1C=C(S4)[Sn](C)(C)C)[Si](C5=C3SC(=C5)[Sn](C)(C)C)(CCCCCC)CCCCCC)CCCCCC
• Topological: 56.5
• Monoisotopic Mass: 962.28145
• Synonyms: 1569453-45-7, Benzo[1”,2”:4,5;4”,5”:4′,5′]bissilolo[3,2-b:3′,2′-b’]dithiophene, 4,4,9,9-tetrahexyl-4,9-dihydro-2,7-bis(trimethylstannyl)-

Application

This compound is primarily used as a key monomer in the synthesis of conjugated polymers for organic electronics, including organic photovoltaics (OPVs) and field-effect transistors (OFETs). Its rigid, fused-ring structure and stannyl groups enable efficient Stille coupling to construct high-performance donor-acceptor copolymers. Researchers also employ it to develop silicon- and sulfur-containing hybrid materials with tunable optoelectronic properties. The hexyl substituents improve processability without compromising charge transport characteristics.

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