Cas no 225794-32-1 ((5-Bromopyrimidin-4-yl)(phenyl)methanone)

(5-Bromopyrimidin-4-yl)(phenyl)methanone is a brominated pyrimidine derivative with a phenyl ketone functional group, serving as a versatile intermediate in organic synthesis and pharmaceutical research. Its key advantages include high reactivity at the 5-position bromine, enabling efficient cross-coupling reactions such as Suzuki or Buchwald-Hartwig amination. The electron-deficient pyrimidine core enhances its utility in nucleophilic substitution reactions, while the phenyl ketone moiety offers additional functionalization potential. This compound is particularly valuable in the development of bioactive molecules, including kinase inhibitors and other heterocyclic scaffolds. Its well-defined structure and stability under standard conditions make it a reliable building block for medicinal chemistry and material science applications.
(5-Bromopyrimidin-4-yl)(phenyl)methanone structure
225794-32-1 structure
Product Name:(5-Bromopyrimidin-4-yl)(phenyl)methanone
CAS No:225794-32-1
MF:C11H7BrN2O
MW:263.090081453323
CID:1081292
PubChem ID:71436168
Update Time:2025-06-06

(5-Bromopyrimidin-4-yl)(phenyl)methanone Chemical and Physical Properties

Names and Identifiers

    • (5-Bromopyrimidin-4-yl)(phenyl)methanone
    • (5-Bromo-4-pyrimidinyl)phenylmethanone
    • (5-bromopyrimidin-4-yl)-phenylmethanone
    • 4-benzoyl-5-bromopyrimidine
    • 225794-32-1
    • SB58809
    • DTXSID20849655
    • Inchi： 1S/C11H7BrN2O/c12-9-6-13-7-14-10(9)11(15)8-4-2-1-3-5-8/h1-7H
    • InChI Key： XKZHWMFPIKWHFQ-UHFFFAOYSA-N
    • SMILES： BrC1=CN=CN=C1C(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 261.97400
  • Monoisotopic Mass: 261.97418g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 229
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.6
  • Topological Polar Surface Area: 42.8?2

Experimental Properties

  • Density: 1.546
  • Boiling Point: 381.837°C at 760 mmHg
  • Flash Point: 184.729°C
  • Refractive Index: 1.622
  • PSA: 42.85000
  • LogP: 2.47010

(5-Bromopyrimidin-4-yl)(phenyl)methanone Pricemore >>

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