Cas no 857428-34-3 (5-Bromo-2-methyl-4-pyrimidinecarbonitrile)

5-Bromo-2-methyl-4-pyrimidinecarbonitrile is a versatile pyrimidine derivative widely used as a key intermediate in pharmaceutical and agrochemical synthesis. Its bromo and cyano functional groups make it highly reactive, enabling efficient cross-coupling reactions and further derivatization. The compound's stability and well-defined structure ensure consistent performance in heterocyclic chemistry applications. It is particularly valuable in the development of active pharmaceutical ingredients (APIs) and specialty chemicals, where precise molecular modifications are required. The product is characterized by high purity and reliable batch-to-batch reproducibility, making it suitable for research and industrial-scale applications. Proper handling under controlled conditions is recommended due to its reactivity.
5-Bromo-2-methyl-4-pyrimidinecarbonitrile structure
857428-34-3 structure
Product Name:5-Bromo-2-methyl-4-pyrimidinecarbonitrile
CAS No:857428-34-3
MF:C6H4BrN3
MW:198.020059585571
CID:2180202
Update Time:2025-11-02

5-Bromo-2-methyl-4-pyrimidinecarbonitrile Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-methyl-4-pyrimidinecarbonitrile
    • 5-Bromo-2-methylpyrimidine-4-carbonitrile
    • CID 131886075
    • 4-Pyrimidinecarbonitrile, 5-bromo-2-methyl-
    • Inchi: 1S/C6H4BrN3/c1-4-9-3-5(7)6(2-8)10-4/h3H,1H3
    • InChI Key: JPMZJRTVTXCRPH-UHFFFAOYSA-N
    • SMILES: BrC1C=NC(C)=NC=1C#N

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 162
  • Topological Polar Surface Area: 49.6

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Additional information on 5-Bromo-2-methyl-4-pyrimidinecarbonitrile

5-Bromo-2-methyl-4-pyrimidinecarbonitrile (CAS No. 857428-34-3): A Comprehensive Overview

5-Bromo-2-methyl-4-pyrimidinecarbonitrile (CAS No. 857428-34-3) is a specialized pyrimidine derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its bromine and cyano functional groups, serves as a versatile building block in organic synthesis. Its molecular formula, C6H4BrN3, and unique structural features make it a valuable intermediate for developing novel drug candidates and crop protection agents.

The growing demand for heterocyclic compounds in medicinal chemistry has propelled interest in 5-Bromo-2-methyl-4-pyrimidinecarbonitrile. Researchers are particularly intrigued by its potential applications in kinase inhibitor development, a hot topic in cancer therapy. Recent studies highlight its role in modulating enzyme activity, making it a promising scaffold for targeted therapies. Additionally, its electron-withdrawing properties enhance reactivity in cross-coupling reactions, a frequently searched topic in synthetic chemistry forums.

From a commercial perspective, 857428-34-3 is increasingly sought after by fine chemical suppliers due to its scalability and compatibility with green chemistry principles. Industry reports indicate a surge in patents incorporating this compound, particularly in biodegradable agrochemicals—a trending sector aligned with global sustainability goals. Its stability under microwave-assisted synthesis (another popular search term) further boosts its appeal for high-throughput applications.

Analytical data reveals that 5-Bromo-2-methyl-4-pyrimidinecarbonitrile exhibits excellent solubility in polar aprotic solvents, a property extensively discussed in process chemistry circles. This characteristic, combined with its crystallinity, facilitates purification—a critical factor for GMP-compliant production. The compound’s HPLC purity (>98% typically) meets stringent requirements for preclinical research, addressing a common query among quality control specialists.

Emerging applications in material science have expanded the utility of this pyrimidinecarbonitrile derivative. Its incorporation into organic semiconductors for flexible electronics aligns with the booming IoT device market. Furthermore, its photophysical properties are being explored for sensing technologies, a subject gaining traction in academic publications and conference proceedings.

Safety profiles of 857428-34-3 comply with standard laboratory handling protocols, as confirmed by recent REACH compliance assessments. This aspect responds to frequently asked questions about chemical storage and waste management. The compound’s thermal stability data (typically up to 200°C) makes it suitable for various industrial processes, another trending search phrase in chemical engineering databases.

The global market for 5-Bromo-2-methyl-4-pyrimidinecarbonitrile reflects increasing R&D investments, particularly in Asia-Pacific regions. Market analysts correlate this growth with the rising demand for small molecule therapeutics and precision agriculture solutions. Suppliers are now offering custom synthesis services for this compound, catering to the contract research organization (CRO) sector’s needs—a service category experiencing exponential growth.

In conclusion, 5-Bromo-2-methyl-4-pyrimidinecarbonitrile (CAS No. 857428-34-3) represents a multifaceted compound bridging pharmaceutical innovation and sustainable chemistry. Its evolving applications across drug discovery, agrochemicals, and advanced materials position it as a compound of enduring scientific and commercial relevance. The compound’s alignment with current research trends—from catalysis optimization to bioactive scaffold design—ensures its continued prominence in peer-reviewed literature and industrial applications alike.

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