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CAS 1821433-54-8

N,N'-Bis(2-ethylhexyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindigo TCI B5993

N,N'-Bis(2-ethylhexyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindigo TCI B5993

Chemical Identity

Other names
1,1'-Bis(2-ethylhexyl)-6,6'-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[3,3'-biindolinylidene]-2,2'-dione
CAS No.
1821433-54-8
PubChem
CID 145709897·SID 468590832
Formula
C44H64B2N2O6
Molecular weight
738.62 g/mol
Full identifiers (IUPAC, SMILES, InChIKey)
IUPAC
(3Z)-1-(2-ethylhexyl)-3-[1-(2-ethylhexyl)-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(CC)CCCC)C(=O)N3CC(CC)CCCC
InChIKey
GXHAQPUYIWIYPF-DTTHWBISSA-N
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TCI B5993 (CAS 1821433-54-8) is an isoindigo-based organoboron reagent featuring two pinacol boronate ester moieties, designed as a versatile building block for Suzuki-Miyaura cross-coupling reactions. Its electron-deficient isoindigo core makes it highly suitable for constructing donor-acceptor type conjugated polymers used in organic electronics. This compound is commonly employed in research and development of organic field-effect transistors (OFETs) and organic photovoltaic (OPV) materials.

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