Cas no 1256955-96-0 (4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine)

4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine is a substituted pyrimidine derivative characterized by its chloro and isopropyl functional groups. This compound serves as a versatile intermediate in organic synthesis, particularly in the development of agrochemicals and pharmaceuticals. Its structural features, including the chloro substituent at the 4-position and sterically hindered alkyl groups, enhance reactivity in nucleophilic substitution reactions, making it valuable for constructing complex heterocyclic systems. The compound's stability under standard conditions and well-defined reactivity profile contribute to its utility in precision synthesis. It is commonly employed in the preparation of active ingredients requiring tailored pyrimidine scaffolds for targeted biological activity.
4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine structure
1256955-96-0 structure
Product Name:4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine
CAS No:1256955-96-0
MF:C9H13ClN2
MW:184.665920972824
CID:2143828
PubChem ID:62915717
Update Time:2025-11-02

4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine Chemical and Physical Properties

Names and Identifiers

    • 4-chloro-5-isopropyl-2,6-dimethylpyrimidine
    • 4-chloro-2,6-dimethyl-5-(propan-2-yl)pyrimidine
    • 4-chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine
    • 4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine
    • Inchi: 1S/C9H13ClN2/c1-5(2)8-6(3)11-7(4)12-9(8)10/h5H,1-4H3
    • InChI Key: LRFXJOGCRKWSDH-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(C)=NC(C)=N1)C(C)C

Computed Properties

  • Exact Mass: 184.0767261g/mol
  • Monoisotopic Mass: 184.0767261g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 150
  • 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
  • Topological Polar Surface Area: 25.8
  • XLogP3: 3.1

4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine Pricemore >>

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Additional information on 4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine

4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine (CAS No. 1256955-96-0): A Comprehensive Overview

4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine (CAS No. 1256955-96-0) is a specialized pyrimidine derivative with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its unique chloro and isopropyl substituents, has garnered attention for its potential in drug discovery and crop protection formulations. As the demand for novel heterocyclic compounds rises, 4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine stands out due to its structural versatility and reactivity.

The molecular structure of 4-Chloro-2,6-dimethylpyrimidine derivatives like this compound enables interactions with biological targets, making them valuable in medicinal chemistry. Researchers are particularly interested in its role as a building block for kinase inhibitors, a hot topic in oncology drug development. With the global pharmaceutical market projected to reach $1.5 trillion by 2023 (IQVIA data), intermediates such as CAS 1256955-96-0 are becoming increasingly important for innovative therapies.

In agrochemical applications, 5-isopropyl-4-chloro-2,6-dimethylpyrimidine structures have shown promise in developing new-generation pesticides with improved environmental profiles. This aligns with current industry trends toward green chemistry solutions and sustainable agriculture practices. The compound's stability and selective reactivity make it suitable for creating targeted crop protection agents that address modern challenges like pesticide resistance.

From a synthetic chemistry perspective, 4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine offers several advantages. Its chloro substituent at position 4 provides an excellent leaving group for nucleophilic substitution reactions, while the isopropyl group at position 5 contributes to steric effects that can influence reaction selectivity. These features are particularly valuable in parallel synthesis and combinatorial chemistry approaches that dominate modern drug discovery workflows.

The global market for pyrimidine derivatives continues to expand, driven by increasing R&D investment in both pharmaceutical and agricultural sectors. According to recent market analyses, the heterocyclic compounds segment is growing at a CAGR of 6.2%, with chlorinated pyrimidines representing a significant portion of this growth. CAS 1256955-96-0 fits perfectly into this expanding market niche, offering researchers a versatile intermediate for various applications.

Quality control and characterization of 4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine typically involve advanced analytical techniques. HPLC purity assessments generally show >98% purity for research-grade material, while GC-MS and NMR spectroscopy confirm the molecular structure. These quality parameters are crucial for researchers who require high-purity building blocks for sensitive synthetic applications.

Storage and handling recommendations for 4-Chloro-2,6-dimethylpyrimidine derivatives emphasize protection from moisture and light, with ideal storage conditions at 2-8°C under inert atmosphere. Proper handling procedures ensure the compound's stability and reactivity are maintained for research applications. These protocols align with Good Laboratory Practice (GLP) standards followed in most research institutions.

Recent patent literature reveals growing interest in 5-isopropyl-4-chloro-2,6-dimethylpyrimidine scaffolds, particularly in applications related to signal transduction inhibition. This reflects the broader industry focus on targeted therapies and precision medicine approaches. The compound's potential in these cutting-edge applications makes it a valuable asset for pharmaceutical R&D teams worldwide.

Environmental and safety assessments of pyrimidine derivatives like CAS 1256955-96-0 indicate favorable profiles compared to traditional chemical intermediates. This aspect is increasingly important as regulatory agencies worldwide implement stricter guidelines for chemical research and manufacturing. The compound's balanced properties make it suitable for sustainable chemistry initiatives gaining traction across the industry.

Future research directions for 4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine may explore its potential in material science applications, particularly in the development of specialty polymers and electronic materials. The unique electronic properties of chlorinated pyrimidines make them interesting candidates for organic semiconductor research, an area experiencing rapid growth due to demand for flexible electronics.

Supply chain considerations for CAS 1256955-96-0 highlight the importance of reliable sourcing from certified manufacturers. The compound's specialized nature requires suppliers with expertise in heterocyclic chemistry and stringent quality control measures. Current market dynamics show stable availability with lead times typically ranging from 4-6 weeks for custom synthesis projects.

In conclusion, 4-Chloro-2,6-dimethyl-5-(1-methylethyl)pyrimidine represents an important chemical building block with diverse applications in life sciences and materials research. Its unique structural features and reactivity profile position it as a valuable tool for researchers addressing modern challenges in drug discovery, agricultural science, and advanced materials development. As scientific innovation continues to advance, compounds like CAS 1256955-96-0 will undoubtedly play increasingly important roles across multiple disciplines.

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