Cas no 1333222-31-3 ((4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate)

(4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate is a fluorinated pyrimidine derivative with significant utility in pharmaceutical and agrochemical research. The trifluoromethyl group enhances metabolic stability and lipophilicity, making it valuable in the design of bioactive compounds. This ester-functionalized intermediate is particularly useful in nucleophilic substitution or hydrolysis reactions, enabling further derivatization. Its pyrimidine core serves as a key scaffold in medicinal chemistry, often contributing to binding interactions with biological targets. The acetate moiety offers synthetic flexibility, facilitating controlled release or further functionalization. High purity and well-defined reactivity make this compound a reliable building block for developing novel therapeutics or crop protection agents. Proper handling under inert conditions is recommended due to potential sensitivity to moisture.
(4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate structure
1333222-31-3 structure
Product Name:(4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate
CAS No:1333222-31-3
MF:C8H7F3N2O2
MW:220.148592233658
CID:1030115
PubChem ID:71607449
Update Time:2025-05-20

(4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate Chemical and Physical Properties

Names and Identifiers

    • (4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate
    • [4-(trifluoromethyl)pyrimidin-2-yl]methyl acetate
    • (4-(trifluoromethyl)pyrimidin-2-yl)methylacetate
    • SB58856
    • 1333222-31-3
    • 2-Pyrimidinemethanol, 4-(trifluoromethyl)-, 2-acetate
    • DTXSID50856392
    • Inchi: 1S/C8H7F3N2O2/c1-5(14)15-4-7-12-3-2-6(13-7)8(9,10)11/h2-3H,4H2,1H3
    • InChI Key: OTWRUQYRTHGHCF-UHFFFAOYSA-N
    • SMILES: FC(C1=CC=NC(COC(C)=O)=N1)(F)F

Computed Properties

  • Exact Mass: 220.04596196g/mol
  • Monoisotopic Mass: 220.04596196g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 4
  • Complexity: 232
  • 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: 0.8
  • Topological Polar Surface Area: 52.1?2

(4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate Pricemore >>

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Additional information on (4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate

Comprehensive Overview of (4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate (CAS No. 1333222-31-3)

The compound (4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate, with the CAS number 1333222-31-3, is a specialized pyrimidine derivative that has garnered significant attention in pharmaceutical and agrochemical research. Its unique molecular structure, featuring a trifluoromethyl group and an acetate ester, makes it a versatile intermediate in synthetic chemistry. Researchers and industry professionals are increasingly exploring its applications due to its potential in drug discovery and material science.

One of the key reasons for the growing interest in (4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate is its role in the development of small-molecule inhibitors. The trifluoromethyl group enhances the compound's metabolic stability and lipophilicity, which are critical factors in optimizing drug candidates. This aligns with current trends in precision medicine and targeted therapies, where researchers seek compounds with improved pharmacokinetic properties. Additionally, the pyrimidine scaffold is a common motif in FDA-approved drugs, further highlighting its relevance.

In the agrochemical sector, (4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate is being investigated for its potential as a crop protection agent. The trifluoromethyl group is known to enhance the bioactivity of pesticides, making it a valuable component in sustainable agriculture solutions. With increasing global demand for high-yield crops and environmentally friendly pesticides, this compound could play a pivotal role in addressing food security challenges.

From a synthetic chemistry perspective, the acetate ester moiety in (4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate offers excellent reactivity for further functionalization. This makes it a valuable building block for heterocyclic chemistry and medicinal chemistry applications. Researchers are particularly interested in its use for click chemistry and bioconjugation, which are hot topics in modern drug development and biomaterial design.

The compound's CAS number 1333222-31-3 is frequently searched in academic and industrial databases, reflecting its importance in chemical innovation. Users often inquire about its synthesis methods, spectroscopic data, and safety profiles, indicating a strong demand for detailed technical information. Furthermore, its potential applications in catalysis and material science are areas of active exploration, as evidenced by recent patent filings and scientific publications.

In summary, (4-(Trifluoromethyl)pyrimidin-2-yl)methyl acetate (CAS No. 1333222-31-3) is a multifaceted compound with broad applications in pharmaceuticals, agrochemicals, and advanced materials. Its unique structural features and reactivity make it a subject of ongoing research, particularly in the context of drug discovery and sustainable chemistry. As the scientific community continues to uncover its potential, this compound is poised to remain a key player in innovation-driven industries.

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