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CAS 1563062-80-5

N,N'-Bis(2-octyldodecyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindigo TCI B5994

N,N'-Bis(2-octyldodecyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindigo TCI B5994

Chemical Identity

Other names
1,1'-Bis(2-octyldodecyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[3,3'-biindolinylidene]-2,2'-dione
CAS No.
1563062-80-5
PubChem
CID 139035318·SID 468590833
Formula
C68H112B2N2O6
Molecular weight
1,075.27 g/mol
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
1-(2-octyldodecyl)-3-[1-(2-octyldodecyl)-2-oxo-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-3-ylidene]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-2-one
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C(=C4C5=C(C=C(C=C5)B6OC(C(O6)(C)C)(C)C)N(C4=O)CC(CCCCCCCC)CCCCCCCCCC)C(=O)N3CC(CCCCCCCC)CCCCCCCCCC
InChIKey
CIKLHBYGEYVLOH-UHFFFAOYSA-N
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TCI B5994 is a high-purity isoindigo-based organoboron reagent equipped with two pinacol boronate ester functionalities and branched 2-octyldodecyl N-substituents for enhanced solubility in organic solvents. This bifunctional monomer is primarily used as a building block in Suzuki-Miyaura cross-coupling polymerization to construct donor-acceptor conjugated polymers. Its key applications lie in the field of organic electronics, including organic field-effect transistors (OFETs), organic photovoltaics (OPVs), and other advanced optoelectronic devices requiring narrow-bandgap semiconducting materials.

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