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CS-W001157 4
Total: USD 88.00

5-Bromo-4,6-dimethylpyrimidine

  • CAS No. 157335-97-2

  • Cat. No. CS-0045927
  • Purity≥98%
  • MDL No.None

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

5-Bromo-4,6-dimethylpyrimidine|CS-0045927

Structure of 157335-97-2

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General Information

  • CAS No. 157335-97-2
  • Cat. No. CS-0045927
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇BrN₂
  • Molecular Weight 187.04
  • Synonym(s) 4,6-dimethyl-5-bromopyrimidine
  • SMILES CC1=C(Br)C(C)=NC=N1

Description

5-Bromo-4,6-dimethylpyrimidine is a bench-stable, electron-deficient pyrimidine derivative featuring two methyl groups flanking the bromine at C5. This substitution pattern enables efficient coupling in cross-coupling reactions and facilitates incorporation into heterocyclic scaffolds for medicinal chemistry and materials science applications.

Application

5-Bromo-4,6-dimethylpyrimidine serves as a versatile building block in medicinal chemistry, enabling efficient construction of pyrimidine-based scaffolds through palladium-catalyzed cross-coupling reactions. Its bromine substituent facilitates reliable C–Br bond functionalization, while the methyl groups enhance solubility and contribute to favorable metabolic stability. The compound exhibits excellent bench stability and is compatible with standard reaction conditions, making it ideal for iterative synthesis workflows in API development.

Synthesis

  • Route1
    • null|null
      157335-96-1
    • ~69%
    • In-stock
      5-Bromo-4,6-dimethylpyrimidine|CS-0045927
      157335-97-2

    References

    • Kress, Thomas J. Heterocycles, 1994 , vol. 38, # 6 p. 1375 - 1382
  • Route2
    • 5-Bromo-4,6-dimethyl-2(1H)-pyrimidinone|CS-0308279
      7781-20-6
    • ~%
    • In-stock
      5-Bromo-4,6-dimethylpyrimidine|CS-0045927
      157335-97-2

    References

    • Kress, Thomas J. Heterocycles, 1994 , vol. 38, # 6 p. 1375 - 1382
  • Route3

    References

    • Kress, Thomas J. Heterocycles, 1994 , vol. 38, # 6 p. 1375 - 1382

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   25.78
  • LogP   1.85594
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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