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CS-W001157 4
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5-(4-Bromophenyl)-6-hydroxypyrimidin-4(1H)-one

  • CAS No. 706811-25-8

  • Cat. No. CS-M1490
  • Molecule weight267.08
  • Purity≥98%
  • MDL No.MFCD13151898

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

5-(4-Bromophenyl)-6-hydroxypyrimidin-4(1H)-one|CS-M1490

Structure of 706811-25-8

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General Information

  • CAS No. 706811-25-8
  • Cat. No. CS-M1490
  • Purity ≥98%
  • MDL No. MFCD13151898
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇BrN₂O₂
  • Molecular Weight 267.08
  • Synonym(s) 5-(4-bromophenyl)-pyrimidine-4,6-diol
  • SMILES BrC1=CC=C(C2C(NC=NC2=O)=O)C=C1

Description

5-(4-Bromophenyl)-6-hydroxypyrimidin-4(1H)-one features a brominated phenyl group attached to a pyrimidinone scaffold, enabling direct incorporation into heterocyclic architectures. The hydroxyl substituent enhances solubility and facilitates derivatization, while the electron-deficient ring system supports efficient coupling reactions under mild conditions. This compound serves as a key intermediate in medicinal chemistry for kinase inhibitor and antiviral agent development.

Application

5-(4-Bromophenyl)-6-hydroxypyrimidin-4(1H)-one serves as a versatile building block for constructing biologically relevant pyrimidine scaffolds. The bromophenyl group enables palladium-catalyzed cross-coupling reactions, while the 6-hydroxy functionality offers opportunities for derivatization or tautomerization control. This compound exhibits good bench stability and facilitates efficient functional group interconversions in medicinal chemistry campaigns, making it a practical intermediate for targeted synthesis of heterocyclic compounds.

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 : 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   58.53
  • LogP   1.2174
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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