Cas no 127957-88-4 (Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate)

Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate is a pyrimidine derivative with applications in pharmaceutical and agrochemical research. Its structure features a carboxylate ester group at the 5-position and ethyl and methyl substituents at the 4- and 2-positions, respectively, contributing to its reactivity and versatility as an intermediate. The compound is valued for its potential in synthesizing heterocyclic compounds, particularly in the development of bioactive molecules. Its moderate lipophilicity and stability under standard conditions make it suitable for further functionalization. The ester group allows for straightforward hydrolysis or transesterification, enabling diverse downstream modifications. This compound is typically handled under inert conditions to preserve its integrity.
Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate structure
127957-88-4 structure
Product Name:Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate
CAS No:127957-88-4
MF:C10H14N2O2
MW:194.230362415314
CID:103060
PubChem ID:14639210
Update Time:2025-10-22

Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate
    • 5-Pyrimidinecarboxylicacid, 4-ethyl-2-methyl-, ethyl ester
    • ETHYL-2-METHYL-4-ETHYL-5-PYRIMIDINE CARBOXYLATE
    • ethyl 2-methyl-4-ethyl-5-pyrimidine carboxylate
    • DTXSID00562451
    • 127957-88-4
    • AKOS006285817
    • CFA95788
    • Ethyl4-ethyl-2-methylpyrimidine-5-carboxylate
    • EN300-685329
    • 5-Pyrimidinecarboxylic acid, 4-ethyl-2-methyl-, ethyl ester
    • SB56286
    • ETHYL-2-METHYL-4-ETHYL-5-PYRIMIDINECARBOXYLATE
    • FT-0693325
    • Inchi: 1S/C10H14N2O2/c1-4-9-8(10(13)14-5-2)6-11-7(3)12-9/h6H,4-5H2,1-3H3
    • InChI Key: JTMQZVGORSUJMY-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=CN=C(C)N=C1CC)=O

Computed Properties

  • Exact Mass: 194.10600
  • Monoisotopic Mass: 194.105527694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 4
  • Complexity: 197
  • 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: 1.7
  • Topological Polar Surface Area: 52.1?2

Experimental Properties

  • Density: 1.082
  • Boiling Point: 292.3°Cat760mmHg
  • Flash Point: 130.6°C
  • Refractive Index: 1.505
  • PSA: 52.08000
  • LogP: 1.52410

Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate Pricemore >>

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Additional information on Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate

Comprehensive Overview of Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate (CAS No. 127957-88-4)

Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate (CAS No. 127957-88-4) is a specialized organic compound belonging to the pyrimidine family, a class of heterocyclic aromatic compounds widely utilized in pharmaceuticals, agrochemicals, and material science. With the growing interest in pyrimidine derivatives due to their versatile applications, this compound has garnered attention for its unique structural properties and potential utility in drug discovery and fine chemical synthesis. Researchers and industry professionals frequently search for CAS 127957-88-4 to explore its synthesis pathways, physicochemical characteristics, and industrial relevance.

The molecular structure of Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate features a pyrimidine core substituted with ethyl and methyl groups, along with an ester functional group. This configuration imparts distinct reactivity, making it a valuable intermediate in organic synthesis. Recent trends in green chemistry have spurred interest in optimizing its production using sustainable catalysts and solvent-free methods, aligning with the global push for eco-friendly manufacturing. Users often inquire about synthetic routes for pyrimidine carboxylates or scalable production techniques, reflecting the demand for efficient and cost-effective processes.

In the pharmaceutical sector, pyrimidine-based compounds like Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate are investigated for their bioactivity. While this specific ester is primarily a building block, its derivatives may exhibit potential in medicinal chemistry, particularly in designing small-molecule inhibitors or enzyme modulators. Searches related to pyrimidine carboxylate applications in drug development highlight the compound's relevance in addressing unmet medical needs, such as antimicrobial resistance or targeted cancer therapies.

From a commercial perspective, suppliers and buyers of CAS 127957-88-4 often seek data on purity, storage conditions, and regulatory compliance. The compound's stability under varying temperatures and compatibility with common reagents are critical for laboratory use and industrial-scale reactions. Analytical techniques like HPLC, NMR, and mass spectrometry are routinely employed to characterize its quality, a topic frequently searched by quality control professionals.

Emerging applications in material science further expand the compound's utility. Its incorporation into coordination polymers or ligand design for metal-organic frameworks (MOFs) is an area of active research, driven by the need for advanced materials in catalysis and sensing. Queries such as pyrimidine carboxylates in MOF synthesis underscore the interdisciplinary interest in this chemical.

In summary, Ethyl 4-ethyl-2-methylpyrimidine-5-carboxylate (CAS No. 127957-88-4) represents a multifaceted compound with significant academic and industrial value. Its role in heterocyclic chemistry, coupled with evolving applications in life sciences and advanced materials, ensures its continued relevance. Future research may uncover novel derivatives or optimized synthetic methods, further solidifying its position in the chemical landscape.

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