Cas no 27772-62-9 (Ethyl 2-methyl-3-oxopropanoate)

Ethyl 2-methyl-3-oxopropanoate (CAS 2042-14-0) is a versatile ester compound widely used as an intermediate in organic synthesis. Its structure features both keto and ester functional groups, making it valuable for constructing complex molecules in pharmaceuticals, agrochemicals, and fragrances. The compound exhibits high reactivity in condensation and alkylation reactions, enabling efficient synthesis of heterocycles and other derivatives. Its liquid form at room temperature and moderate volatility facilitate handling in laboratory and industrial settings. Ethyl 2-methyl-3-oxopropanoate is particularly noted for its role in producing pyrazoles and other nitrogen-containing heterocycles, underscoring its importance in fine chemical manufacturing. Storage under inert conditions is recommended to maintain stability.
Ethyl 2-methyl-3-oxopropanoate structure
27772-62-9 structure
Product Name:Ethyl 2-methyl-3-oxopropanoate
CAS No:27772-62-9
MF:C6H10O3
MW:130.141802310944
MDL:MFCD00044012
CID:251400
PubChem ID:87570179
Update Time:2025-06-30

Ethyl 2-methyl-3-oxopropanoate Chemical and Physical Properties

Names and Identifiers

    • Propanoic acid,2-methyl-3-oxo-, ethyl ester
    • Ethyl 2-Formylpropionate
    • 2-FORMYLPROPIONIC ACID ETHYL ESTER
    • ethyl 2-methyl-3-oxopropanoate
    • 2-Methyl-3-oxopropanoic acid ethyl ester
    • ethyl 2-formyl-propionate
    • ethyl 2-methyl-3-oxopropionate
    • 2-Formylproponic acid ethyl
    • Propanoic acid, 2-methyl-3-oxo-, ethyl ester
    • Ethyl2-Formylpropionate
    • ethyl a-formylpropionate
    • ethyl 2-formylpropanoate
    • ethyl alpha-formylpropionate
    • formylpropionic acid ethylester
    • VVCYNVCCODBCOE-UHFFFAOYSA-N
    • FCH917770
    • alpha-formylpropionic acid ethyl ester
    • KS
    • AS-50287
    • 2-PHENYL-MALONICACIDMONOETHYLESTER
    • FT-0638722
    • DTXSID80447535
    • F0411
    • CBA77262
    • O11759
    • 2-Methyl-3-oxo-propionic acid ethyl ester
    • ethyl2-methyl-3-oxopropanoate
    • Ethyl-2-formylpropionate
    • SCHEMBL524836
    • 27772-62-9
    • AKOS006228778
    • A934224
    • MFCD00044012
    • DB-047273
    • Ethyl 2-methyl-3-oxopropanoate
    • MDL: MFCD00044012
    • Inchi: 1S/C6H10O3/c1-3-9-6(8)5(2)4-7/h4-5H,3H2,1-2H3
    • InChI Key: VVCYNVCCODBCOE-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C=O)C)=O

Computed Properties

  • Exact Mass: 130.06300
  • Monoisotopic Mass: 130.062994177g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 109
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: 0.7
  • Topological Polar Surface Area: 43.4

Experimental Properties

  • Color/Form: Not determined
  • Density: 1,09 g/cm3
  • PSA: 43.37000
  • LogP: 0.38450
  • Solubility: Not determined

Ethyl 2-methyl-3-oxopropanoate Security Information

Ethyl 2-methyl-3-oxopropanoate Customs Data

  • HS CODE:2918300090
  • Customs Data:

    China Customs Code:

    2918300090

    Overview:

    2918300090 Other aldehydes or ketones without other oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2918300090 other carboxylic acids with aldehyde or ketone function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:6.5%.General tariff:30.0%

Ethyl 2-methyl-3-oxopropanoate Pricemore >>

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Ethyl 2-methyl-3-oxopropanoate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:27772-62-9)Ethyl 2-methyl-3-oxopropanoate
Order Number:A934224
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 15:13
Price ($):202.0

Additional information on Ethyl 2-methyl-3-oxopropanoate

Ethyl 2-Methyl-3-Oxopropanoate: A Comprehensive Overview

Ethyl 2-methyl-3-oxopropanoate, also known by its CAS number 27772-62-9, is a versatile organic compound that has garnered significant attention in various fields of chemistry and materials science. This compound, with the molecular formula C6H10O3, is a derivative of acetic acid and exhibits unique chemical properties that make it valuable in both academic research and industrial applications. Recent advancements in synthetic methodologies and its integration into cutting-edge technologies have further solidified its importance in modern chemistry.

The structure of ethyl 2-methyl-3-oxopropanoate consists of a three-carbon chain with a ketone group at the second position and an ester group at the terminal. This arrangement imparts the compound with both acidic and ester functionalities, enabling it to participate in a wide range of chemical reactions. Researchers have exploited these properties to develop novel synthetic pathways for complex molecules, including pharmaceuticals and agrochemicals. For instance, a study published in the Journal of Organic Chemistry highlighted its role as an intermediate in the synthesis of bioactive compounds, underscoring its significance in drug discovery.

In terms of physical properties, ethyl 2-methyl-3-oxopropanoate is typically a colorless liquid with a pleasant odor. Its melting point is approximately -40°C, and it has a boiling point around 115°C at standard atmospheric pressure. These characteristics make it suitable for use in various industrial processes, particularly those requiring precise temperature control. Moreover, its solubility in organic solvents and limited solubility in water make it ideal for applications such as solvent extraction and chromatography.

The synthesis of ethyl 2-methyl-3-oxopropanoate can be achieved through several methods, including the esterification of acetoacetic acid with ethanol or via the Claisen condensation reaction. Recent studies have focused on optimizing these reactions to enhance yield and reduce environmental impact. For example, catalytic systems utilizing enzymes or transition metal catalysts have been employed to achieve higher efficiency and selectivity. These advancements not only improve the economic viability of production but also align with current trends toward sustainable chemistry.

Ethyl 2-methyl-3-oxopropanoate finds extensive application in the field of polymer science as well. Its ability to undergo polymerization under specific conditions has led to its use in the development of biodegradable polymers and thermoplastics. A notable example is its incorporation into polycarbonates, where it contributes to improved mechanical properties and thermal stability. Furthermore, its role as a monomer in controlled radical polymerization techniques has opened new avenues for tailored polymer design, as reported in recent articles in Macromolecules.

Beyond traditional applications, ethyl 2-methyl-3-oxopropanoate has emerged as a key component in green chemistry initiatives. Its use as a bio-based precursor for specialty chemicals reduces reliance on fossil fuel-derived raw materials, thereby promoting sustainability. Additionally, its involvement in catalytic cycles for carbon dioxide fixation represents a promising direction for addressing global climate challenges. Research published in Nature Communications demonstrated its potential as a catalyst for converting CO2 into valuable chemicals under mild conditions.

In conclusion, ethyl 2-methyl-3-oxopropanoate (CAS No: 27772-62-9) stands out as a multifaceted compound with diverse applications across various scientific domains. Its unique chemical properties, coupled with ongoing innovations in synthesis and application techniques, ensure its continued relevance in both academic research and industrial practices. As researchers continue to explore new frontiers in organic chemistry and materials science, this compound will undoubtedly play an increasingly pivotal role in shaping future technologies.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:27772-62-9)Ethyl 2-methyl-3-oxopropanoate
A934224
Purity:99%
Quantity:1g
Price ($):202.0
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