Cas no 2248278-16-0 (2-Pyrimidinecarboxaldehyde, 4-bromo-6-methyl-)

2-Pyrimidinecarboxaldehyde, 4-bromo-6-methyl-, is a brominated and methyl-substituted pyrimidine derivative with significant utility in organic synthesis and pharmaceutical research. The presence of both a formyl group and a bromine atom at the 4-position enhances its reactivity, making it a versatile intermediate for cross-coupling reactions, nucleophilic substitutions, and further functionalization. The methyl group at the 6-position contributes to steric and electronic modulation, influencing selectivity in synthetic pathways. This compound is particularly valuable in the development of heterocyclic compounds, agrochemicals, and active pharmaceutical ingredients (APIs), where precise structural modifications are required. Its well-defined reactivity profile ensures consistent performance in complex synthetic workflows.
2-Pyrimidinecarboxaldehyde, 4-bromo-6-methyl- structure
2248278-16-0 structure
Product Name:2-Pyrimidinecarboxaldehyde, 4-bromo-6-methyl-
CAS No:2248278-16-0
MF:C6H5BrN2O
MW:201.020700216293
CID:6070164
PubChem ID:137940373
Update Time:2025-05-24

2-Pyrimidinecarboxaldehyde, 4-bromo-6-methyl- Chemical and Physical Properties

Names and Identifiers

    • 2-Pyrimidinecarboxaldehyde, 4-bromo-6-methyl-
    • 2248278-16-0
    • EN300-6507860
    • 4-Bromo-6-methylpyrimidine-2-carbaldehyde
    • Inchi: 1S/C6H5BrN2O/c1-4-2-5(7)9-6(3-10)8-4/h2-3H,1H3
    • InChI Key: IFHYMVSGQDMAAP-UHFFFAOYSA-N
    • SMILES: C1(C=O)=NC(C)=CC(Br)=N1

Computed Properties

  • Exact Mass: 199.95853g/mol
  • Monoisotopic Mass: 199.95853g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 131
  • 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: 1.4
  • Topological Polar Surface Area: 42.8?2

Experimental Properties

  • Density: 1.675±0.06 g/cm3(Predicted)
  • Boiling Point: 342.7±34.0 °C(Predicted)
  • pka: -1.99±0.30(Predicted)

2-Pyrimidinecarboxaldehyde, 4-bromo-6-methyl- Pricemore >>

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Additional information on 2-Pyrimidinecarboxaldehyde, 4-bromo-6-methyl-

Introduction to 2-Pyrimidinecarboxaldehyde, 4-Bromo-6-Methyl-

The compound 2-Pyrimidinecarboxaldehyde, 4-Bromo-6-Methyl-, with the CAS number 2248278-16-0, is a significant molecule in the field of organic chemistry. This compound belongs to the class of pyrimidine derivatives, which are widely studied due to their diverse applications in drug discovery and materials science. The structure of this compound features a pyrimidine ring with a carboxaldehyde group at position 2, a bromine substituent at position 4, and a methyl group at position 6. These substituents contribute to its unique chemical properties and reactivity.

Recent studies have highlighted the potential of pyrimidine derivatives in various therapeutic areas. For instance, researchers have explored the role of 2-Pyrimidinecarboxaldehyde, 4-Bromo-6-Methyl- in targeting specific enzymes involved in cancer progression. The bromine substituent at position 4 has been shown to enhance the molecule's ability to inhibit certain kinases, making it a promising candidate for anti-cancer drug development. Additionally, the methyl group at position 6 contributes to the compound's stability and solubility, which are critical factors for its pharmacokinetic profile.

In terms of synthesis, the preparation of 2-Pyrimidinecarboxaldehyde, 4-Bromo-6-Methyl- involves a multi-step process that typically includes nucleophilic substitution and alkylation reactions. The use of advanced catalytic systems has enabled chemists to achieve higher yields and better purity levels. Recent advancements in green chemistry have also led to the development of more sustainable methods for synthesizing this compound, reducing its environmental footprint.

The application of 2-Pyrimidinecarboxaldehyde, 4-Bromo-6-Methyl- extends beyond pharmaceuticals. It has been utilized in the synthesis of advanced materials, such as coordination polymers and metal-organic frameworks (MOFs). The carboxaldehyde group serves as a versatile binding site for metal ions, enabling the construction of highly porous and functional materials with applications in gas storage and catalysis.

From an analytical standpoint, modern techniques such as nuclear magnetic resonance (NMR) spectroscopy and mass spectrometry have been employed to characterize this compound with high precision. These methods have provided insights into its molecular structure and dynamic behavior under various conditions. Furthermore, computational chemistry tools have been used to predict the electronic properties and reactivity of 2-Pyrimidinecarboxaldehyde, 4-Bromo-6-Methyl-, aiding in its rational design for specific applications.

In conclusion, 2-Pyrimidinecarboxaldehyde, 4-Bromo-6-Methyl- is a versatile compound with significant potential in multiple fields. Its unique structure and functional groups make it an attractive target for both academic research and industrial applications. As ongoing studies continue to uncover new aspects of its chemistry and biology, this compound is poised to play an increasingly important role in advancing scientific knowledge and technological innovation.

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