Cas no 1782192-47-5 (5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde)

5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde is a brominated pyrimidine derivative featuring an isopropyl substituent and an aldehyde functional group. This compound serves as a versatile intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and functional materials. The presence of both bromine and aldehyde groups enhances its reactivity, enabling selective cross-coupling reactions, nucleophilic additions, and further derivatization. Its well-defined structure and high purity make it suitable for precise synthetic applications. The compound is typically handled under controlled conditions due to its sensitivity, ensuring optimal performance in research and industrial processes. Its utility in constructing complex heterocyclic frameworks underscores its importance in medicinal and materials chemistry.
5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde structure
1782192-47-5 structure
Product Name:5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde
CAS No:1782192-47-5
MF:C8H9BrN2O
MW:229.073860883713
CID:6360455
PubChem ID:83823745
Update Time:2025-05-23

5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-propan-2-ylpyrimidine-4-carbaldehyde
    • 5-bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde
    • 1782192-47-5
    • EN300-6505562
    • 5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde
    • Inchi: 1S/C8H9BrN2O/c1-5(2)8-10-3-6(9)7(4-12)11-8/h3-5H,1-2H3
    • InChI Key: QHTSYRAUSAJHBW-UHFFFAOYSA-N
    • SMILES: BrC1C=NC(C(C)C)=NC=1C=O

Computed Properties

  • Exact Mass: 227.98983g/mol
  • Monoisotopic Mass: 227.98983g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 163
  • 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: 1.9
  • Topological Polar Surface Area: 42.8?2

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Additional information on 5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde

5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde: A Comprehensive Overview

5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde, also known by its CAS number CAS No. 1782192-47-5, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound belongs to the class of pyrimidine derivatives, which are widely studied due to their potential applications in drug discovery and material science.

The molecular structure of 5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde consists of a pyrimidine ring substituted with a bromine atom at position 5, an isopropyl group at position 2, and an aldehyde group at position 4. This unique substitution pattern imparts distinct chemical properties, making it a valuable molecule for various synthetic and analytical studies.

Recent research has highlighted the importance of pyrimidine derivatives in the development of new therapeutic agents. For instance, studies have shown that 5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde exhibits potential anti-inflammatory and antioxidant activities, which could be exploited in the treatment of chronic diseases such as cardiovascular disorders and neurodegenerative conditions.

In terms of synthesis, several methods have been reported for the preparation of 5-Bromo-2-(propan-2-yl)pyrimidine-4-carbaldehyde. One common approach involves the condensation reaction between an appropriate aldehyde and a pyrimidine derivative in the presence of a catalyst. Optimization of reaction conditions has led to higher yields and improved purity, making this compound more accessible for further studies.

The aldehyde group present in 5-Bromo-2-(propan-2-yL)pyrimidine--carbaldehyde renders it reactive towards various nucleophilic additions, such as those involving Grignard reagents or organometallic compounds. These reactions can be used to functionalize the molecule further, opening up possibilities for the creation of more complex structures with enhanced biological activities.

Moreover, computational studies have provided insights into the electronic properties and reactivity of CAS No. 1782192--7--5. Quantum mechanical calculations have revealed that the substituents on the pyrimidine ring significantly influence the molecule's electronic distribution, which is crucial for its interactions with biological targets.

In conclusion, 5-Bromo--(propan--yL)pyrimidin--carbaldehyde, with its CAS number CAS No. 178--19--7--5, stands as a promising compound in contemporary chemical research. Its versatile structure and potential applications make it a subject of continued investigation across multiple disciplines.

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