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CS-W001157 4
Total: USD 88.00

6-Bromo-1-methyl-1H-1,3-benzodiazole

  • CAS No. 53484-16-5

  • Cat. No. CS-0050308
  • Purity≥98%
  • MDL No.None

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

6-Bromo-1-methyl-1H-1,3-benzodiazole|CS-0050308

Structure of 53484-16-5

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General Information

  • CAS No. 53484-16-5
  • Cat. No. CS-0050308
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇BrN₂
  • Molecular Weight 211.06
  • Synonym(s) 6-Bromo-1-methyl-1H-benzo[D]imidazole
  • SMILES CN1C=NC2=C1C=C(Br)C=C2

Description

6-Bromo-1-methyl-1H-1,3-benzodiazole features a brominated benzodiazole core with a methyl group at the 1-position, offering enhanced stability and tailored reactivity. This electron-deficient heterocycle integrates readily into synthetic scaffolds for medicinal chemistry and materials science applications, particularly in cross-coupling transformations and pharmaceutical lead optimization.

Application

6-Bromo-1-methyl-1H-1,3-benzodiazole serves as a versatile building block in medicinal chemistry and heterocyclic synthesis. Its bromine substituent enables palladium-catalyzed cross-coupling reactions, while the methyl group enhances solubility and stability. The benzodiazole core provides a rigid, planar scaffold with favorable electronic properties for drug discovery applications. This compound exhibits excellent bench stability and facilitates efficient functionalization in standard synthetic workflows.

Synthesis

  • Route1
    • In-stock
      5-Bromo-N-methyl-2-nitroaniline|CS-0038539
      302800-13-1
    • null|null
      149-73-5
    • ~42%
    • In-stock
      6-Bromo-1-methyl-1H-1,3-benzodiazole|CS-0050308
      53484-16-5

    References

    • WO2008/51808 A2, ; Page/Page column 82-83 ; WO 2008/051808 A2
  • Route2
    • In-stock
      5-Bromo-N1-methylbenzene-1,2-diamine|CS-W005679
      337915-79-4
    • null|null
      149-73-5
    • ~54%
    • In-stock
      6-Bromo-1-methyl-1H-1,3-benzodiazole|CS-0050308
      53484-16-5

    References

    • WO2004/111036 A1, ; Page 21 ; WO 2004/111036 A1

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   2.3358
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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