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CS-W001157 4
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5-Bromofuran-2-carbonitrile

  • CAS No. 4915-06-4

  • Cat. No. CS-W004524
  • Molecule weight171.98
  • Purity≥97%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

5-Bromofuran-2-carbonitrile|CS-W004524

Structure of 4915-06-4

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General Information

  • CAS No. 4915-06-4
  • Cat. No. CS-W004524
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂BrNO
  • Molecular Weight 171.98
  • Synonym(s) 2-Furancarbonitrile, 5-bromo-
  • SMILES BrC1=CC=C(O1)C#N

Description

5-Bromofuran-2-carbonitrile is a halogenated furan derivative featuring a bromine atom at the 5-position and a nitrile group at the 2-position. This combination imparts high reactivity in cross-coupling transformations, enabling efficient access to functionalized heterocycles. The molecule exhibits excellent stability under standard handling conditions and integrates readily into complex synthetic sequences.

Application

5-Bromofuran-2-carbonitrile serves as a versatile building block in synthetic organic chemistry, enabling palladium-catalyzed cross-coupling reactions due to its bromo and nitrile functionalities. The molecule exhibits bench stability and facilitates efficient derivatization in late-stage functionalization, particularly for constructing heterocyclic scaffolds relevant to medicinal chemistry and agrochemical development.

Synthesis

  • Route1
    • null|null
      1899-24-7
    • ~89%
    • In-stock
      5-Bromofuran-2-carbonitrile|CS-W004524
      4915-06-4

    References

    • Pavlov Chemistry of Heterocyclic Compounds, 2002 , vol. 38, # 5 p. 524 - 529
  • Route2
    • null|null
      4465-70-7
    • ~%
    • In-stock
      5-Bromofuran-2-carbonitrile|CS-W004524
      4915-06-4

    References

    • RANBAXY LABORATORIES LIMITED Patent: WO2005/82899 A1, 2005 ; Location in patent: Page/Page column 28-29 ;
  • Route3

    References

    • JANSSEN PHARMACEUTICA NV; BARBAY, J., Kent; CHAKRAVARTY, Devraj; SHOOK, Brian, Christopher; WANG, Aihua Patent: WO2010/45006 A1, 2010 ; Location in patent: Page/Page column 41-42 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   36.93
  • LogP   1.91378
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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