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Atomfair 5,10-Dihexyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10-d ihydroindolo[3,2-b]indole C38H56B2N2O4 CAS 2057469-39-1

5,10-Dihexyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10-dihydroindolo[3,2-b]indole (CAS: 2057469-39-1) is a highly specialized boronate ester derivative with the molecular formula C38H56B2N2O4. This compound features a unique indolo[3,2-b]indole core functionalized with hexyl chains and pinacol boronate ester groups, making it a valuable intermediate for organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura couplings. Its robust structure and boronate functionality enhance its utility in constructing complex organic frameworks, including conjugated polymers and small-molecule semiconductors for optoelectronic applications. The compound is supplied as a high-purity solid, rigorously characterized by1H NMR,13C NMR, and mass spectrometry to ensure consistency and reliability for research applications. Store under inert conditions to maintain…

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Description

5,10-Dihexyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10-dihydroindolo[3,2-b]indole (CAS: 2057469-39-1) is a highly specialized boronate ester derivative with the molecular formula C38H56B2N2O4. This compound features a unique indolo[3,2-b]indole core functionalized with hexyl chains and pinacol boronate ester groups, making it a valuable intermediate for organic synthesis, particularly in cross-coupling reactions such as Suzuki-Miyaura couplings. Its robust structure and boronate functionality enhance its utility in constructing complex organic frameworks, including conjugated polymers and small-molecule semiconductors for optoelectronic applications. The compound is supplied as a high-purity solid, rigorously characterized by 1H NMR, 13C NMR, and mass spectrometry to ensure consistency and reliability for research applications. Store under inert conditions to maintain stability.

Properties

  • CAS Number: 2057469-39-1
  • Complexity: 926
  • IUPAC Name: 5,10-dihexyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indolo[3,2-b]indole
  • InChI: InChI=1S/C38H56B2N2O4/c1-11-13-15-17-23-41-31-25-27(39-43-35(3,4)36(5,6)44-39)19-21-29(31)34-33(41)30-22-20-28(40-45-37(7,8)38(9,10)46-40)26-32(30)42(34)24-18-16-14-12-2/h19-22,25-26H,11-18,23-24H2,1-10H3
  • InChI Key: HILVCZXJLCWGAU-UHFFFAOYSA-N
  • Exact Mass: 626.4426186
  • Molecular Formula: C38H56B2N2O4
  • Molecular Weight: 626.5
  • SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)C4=C(N3CCCCCC)C5=C(N4CCCCCC)C=C(C=C5)B6OC(C(O6)(C)C)(C)C
  • Topological: 46.8
  • Monoisotopic Mass: 626.4426186
  • Synonyms: 2057469-39-1, 5,10-Dihexyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10-d ihydroindolo[3,2-b]indole, 5,10-Dihexyl-2,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,10-dihydroindolo[3,2-b]indole

Application

This compound is widely utilized in organic synthesis as a key building block for Suzuki-Miyaura cross-coupling reactions, enabling the construction of ฯ€-conjugated systems for organic electronics. Its boronate ester groups facilitate efficient coupling with aryl halides, making it ideal for synthesizing advanced materials such as organic light-emitting diodes (OLEDs) and photovoltaic devices. Researchers also employ it in the development of novel indoloindole-based polymers and small molecules for optoelectronic and sensor applications.

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