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CS-W001157 4
Total: USD 88.00

2-Bromo-6-methoxybenzonitrile

  • CAS No. 1245647-50-0

  • Cat. No. CS-W021624
  • Purity≥97%
  • MDL No.None

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

2-Bromo-6-methoxybenzonitrile|CS-W021624

Structure of 1245647-50-0

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General Information

  • CAS No. 1245647-50-0
  • Cat. No. CS-W021624
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrNO
  • Molecular Weight 212.04
  • Synonym(s) None
  • SMILES N#CC1=C(OC)C=CC=C1Br

Description

2-Bromo-6-methoxybenzonitrile features a bromine atom at the ortho position and a methoxy group at the para position relative to the nitrile, delivering a highly functionalized aromatic scaffold. This electron-deficient benzene core enables efficient coupling in transition metal catalysis and serves as a key intermediate in pharmaceutical synthesis.

Application

2-Bromo-6-methoxybenzonitrile serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal functionalization profile. The bromine and nitrile groups facilitate sequential transformations, while the methoxy substituent enhances solubility and modulates electronic properties. Its bench-stable nature and compatibility with standard reaction conditions make it ideal for constructing complex heterocyclic scaffolds and API intermediates.

Synthesis

  • Route1
    • null|null
      1393739-62-2
    • ~48%
    • In-stock
      2-Bromo-6-methoxybenzonitrile|CS-W021624
      1245647-50-0

    References

    • Tetrahedron Letters, , vol. 53, # 35 p. 4766 - 4769

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   33.02
  • LogP   2.32938
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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