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1-(4-Bromo-2-fluorophenyl)dihydropyrimidine-2,4(1H,3H)-dione

  • CAS No. 1537382-63-0

  • Cat. No. CS-0433218
  • Purity≥98%
  • MDL No.None

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

1-(4-Bromo-2-fluorophenyl)dihydropyrimidine-2,4(1H,3H)-dione|CS-0433218

Structure of 1537382-63-0

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General Information

  • CAS No. 1537382-63-0
  • Cat. No. CS-0433218
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrFN₂O₂
  • Molecular Weight 287.09
  • Synonym(s) None
  • SMILES O=C1NC(CCN1C2=CC=C(Br)C=C2F)=O

Description

This dihydropyrimidine-2,4(1H,3H)-dione features a 4-bromo-2-fluorophenyl substituent at the C1 position, imparting enhanced electron-withdrawing character and improved metabolic stability. The scaffold serves as a key building block in medicinal chemistry, particularly for kinase inhibitor development, due to its favorable conformational rigidity and hydrogen-bonding capacity.

Application

1-(4-Bromo-2-fluorophenyl)dihydropyrimidine-2,4(1H,3H)-dione serves as a versatile building block for medicinal chemistry and heterocyclic synthesis. The molecule combines a brominated aryl moiety with a dihydropyrimidinone core, enabling palladium-catalyzed cross-coupling reactions and facilitating the construction of complex pharmaceutical scaffolds. Its bench-stable nature and compatibility with standard functional group transformations support efficient route development in API discovery programs.

Safety Information

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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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   49.41
  • LogP   2.0345
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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