Cas no 17994-55-7 (ethyl 4-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate)

Ethyl 4-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate is a pyrimidine derivative with notable applications in pharmaceutical and organic synthesis. This compound serves as a versatile intermediate in the preparation of heterocyclic compounds, particularly those with potential biological activity. Its structure features a reactive ester group and a dihydropyrimidine core, enabling further functionalization through nucleophilic substitution or cyclization reactions. The presence of the 4-methyl substituent enhances stability while maintaining reactivity. This product is valued for its high purity and consistent performance in synthetic workflows, making it suitable for research and development in medicinal chemistry and material science. Proper handling under inert conditions is recommended to preserve its integrity.
ethyl 4-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate structure
17994-55-7 structure
Product Name:ethyl 4-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate
CAS No:17994-55-7
MF:C8H12N2O3
MW:184.192481994629
MDL:MFCD00176475
CID:851202
PubChem ID:710693
Update Time:2025-05-25

ethyl 4-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate Chemical and Physical Properties

Names and Identifiers

    • ethyl 4-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate
    • ethyl 6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    • ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
    • 1,2,3,4-tetrahydro-6-methyl-2-oxo-5-pyrimidinecarboxylic acid ethyl ester
    • 5-ethoxycarbonyl-6-methyl-3,4-dihydropyrimidin-2(1H)-one
    • 6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid ethyl ester
    • 6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid ethyl ester
    • ethyl 1,2,3,4-tetrahydro-6-methyl-2-oxopyrimidine-5-carboxylate
    • ethyl 6-methyl-3,4-dihydropyrimid
    • VITAS-BB TBB005560
    • ART-CHEM-BB B029146
    • ethyl 2-hydroxy-4-methyl-1,6-dihydropyrimidine-5-carboxylate
    • 6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-PYRIMIDINE-5-CARBOXYLIC ACID ETHYL ESTER
    • CHEMBL1604913
    • 5-Pyrimidinecarboxylic acid, 1,2,3,4-tetrahydro-6-methyl-2-oxo-, ethyl ester
    • SCHEMBL22101930
    • SB56854
    • ETHYL 6-METHYL-2-OXO-1,2,3,4-TETRAHYDRO-5-PYRIMIDINECARBOXYLATE
    • SMR000146773
    • AKOS005662655
    • J-011480
    • Z336285374
    • VS-08727
    • EN300-31990
    • SCHEMBL10830871
    • BBL028341
    • AKOS000313221
    • G30100
    • (+/-)-ethyl 6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    • STK347858
    • STK933141
    • MFCD00176475
    • ethyl6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
    • HMS2308N15
    • CS-0246222
    • 17994-55-7
    • Oprea1_765607
    • DTXSID70351819
    • MLS000554656
    • MDL: MFCD00176475
    • Inchi: 1S/C8H12N2O3/c1-3-13-7(11)6-4-9-8(12)10-5(6)2/h3-4H2,1-2H3,(H2,9,10,12)
    • InChI Key: DIDVRNLWJBGGQJ-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=C(C)NC(NC1)=O)=O

Computed Properties

  • Exact Mass: 184.08500
  • Monoisotopic Mass: 184.08479225g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 271
  • 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: -0.3
  • Topological Polar Surface Area: 67.4?2

Experimental Properties

  • PSA: 70.92000
  • LogP: 0.10510

ethyl 4-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-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-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate Pricemore >>

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Additional information on ethyl 4-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate

Ethyl 4-Methyl-2-Oxo-3,6-Dihydro-1H-Pyrimidine-5-Carboxylate: A Comprehensive Overview

Ethyl 4-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate, also known by its CAS number 17994-55-7, 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 for their potential applications in drug discovery and material science. The pyrimidine ring system is a heterocyclic aromatic compound with two nitrogen atoms at positions 1 and 3, making it a versatile scaffold for various chemical modifications.

The structure of ethyl 4-methyl-2-oxo-3,6-dihydro-1H-pyrimidine-5-carboxylate features a pyrimidine core with substituents that include a methyl group at position 4, an oxo group at position 2, and an ethyl ester group at position 5. These substituents contribute to the compound's unique chemical properties and reactivity. Recent studies have highlighted the importance of such modifications in enhancing the bioavailability and pharmacokinetic profiles of pyrimidine-based drugs.

One of the most notable applications of this compound is in the development of antiviral agents. Researchers have explored its potential as a component in antiviral therapies due to its ability to inhibit viral replication mechanisms. For instance, studies have shown that ethyl 4-methyl-2-oxo derivatives can interfere with viral RNA polymerase activity, making them promising candidates for treating infections caused by RNA viruses such as influenza and coronaviruses.

In addition to its antiviral properties, ethyl 4-methyl-2-oxo derivatives have also been investigated for their antitumor activity. Preclinical studies suggest that these compounds can induce apoptosis in cancer cells by targeting specific signaling pathways. This makes them a potential lead for developing novel anticancer drugs with reduced side effects compared to traditional chemotherapy agents.

The synthesis of ethyl 4-methyl-2-oxy derivatives has been optimized through various methodologies, including microwave-assisted synthesis and catalytic cross-coupling reactions. These advancements have not only improved the yield but also reduced the environmental footprint of the production process. For example, recent research has demonstrated the use of eco-friendly solvents and catalysts to synthesize this compound on an industrial scale.

From an analytical standpoint, ethyl 4-methyl derivatives are often characterized using advanced spectroscopic techniques such as NMR spectroscopy and mass spectrometry. These methods provide detailed insights into the compound's molecular structure and purity, ensuring its quality for pharmaceutical applications.

Looking ahead, the development of ethyl 4-methyl derivatives is expected to continue gaining momentum as researchers explore new avenues for their application. Collaborative efforts between academia and industry are likely to accelerate the translation of these compounds into clinical settings.

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