Cas no 570-08-1 (Diethyl 2-Acetylmalonate)

Diethyl 2-Acetylmalonate (CAS 570-08-1) is a versatile organic compound widely used as a building block in synthetic chemistry. This ester derivative of malonic acid features both acetyl and ethoxycarbonyl functional groups, making it valuable for condensation reactions, heterocyclic synthesis, and the preparation of pharmaceuticals, agrochemicals, and fine chemicals. Its high reactivity as a nucleophile and electrophile enables efficient Knoevenagel condensations and Michael additions. The compound's stability under standard conditions and ease of handling further enhance its utility in multi-step synthetic routes. Diethyl 2-Acetylmalonate is particularly useful in the synthesis of pyrimidines, pyridines, and other nitrogen-containing heterocycles.
Diethyl 2-Acetylmalonate structure
Diethyl 2-Acetylmalonate structure
Product Name:Diethyl 2-Acetylmalonate
CAS No:570-08-1
MF:C9H14O5
MW:202.204463481903
MDL:MFCD00026876
CID:38398
PubChem ID:136365
Update Time:2025-11-02

Diethyl 2-Acetylmalonate Chemical and Physical Properties

Names and Identifiers

    • Diethyl 2-acetylmalonate
    • Acetylmalonic acid diethyl ester
    • Diethyl acetylmalonate
    • diethyl 2-acetylpropanedioate
    • Acetyl-propanedioic acid diethyl ester
    • Propanedioic acid, acetyl-, diethyl ester
    • Ethyl acetomalonate
    • Diethyl acetomalonate
    • C-Acetylmalonic ester
    • SQAUUQRBOCJRCW-UHFFFAOYSA-N
    • 1,3-diethyl 2-acetylpropanedioate
    • Malonic acid, acetyl-, diethyl ester
    • Ethyl acetylmalonate
    • acetyl diethyl malonate
    • diethyl acetylpropanedioate
    • diethyl alpha-acetyl-malonate
    • KSC493O2T
    • NSC227297
    • GS-3320
    • NSC-4617
    • CS-W007643
    • 2-(2-ethylbutanoyl)propanedioate;Diethyl acetylmalonate
    • AKOS004115453
    • SY017784
    • AM20100399
    • DTXSID70205606
    • EN300-70640
    • A831279
    • 1,6-Dihydro-2-methyl-6-oxo[3,4-bipyridine]-5-carbonitrilelactate
    • Diethyl2-acetylmalonate
    • SCHEMBL26302
    • NSC4617
    • O11718
    • NSC-227297
    • MFCD00026876
    • 570-08-1
    • FT-0600666
    • NSC 227297
    • Propanedioic acid, 2-acetyl-, 1,3-diethyl ester
    • NSC 4617
    • J-520282
    • 681-012-9
    • Diethyl 2-Acetylmalonate
    • MDL: MFCD00026876
    • Inchi: 1S/C9H14O5/c1-4-13-8(11)7(6(3)10)9(12)14-5-2/h7H,4-5H2,1-3H3
    • InChI Key: SQAUUQRBOCJRCW-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)C(C)=O)=O
    • BRN: 1781401

Computed Properties

  • Exact Mass: 202.08400
  • Monoisotopic Mass: 202.08412354 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 7
  • Complexity: 215
  • 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
  • Surface Charge: 0
  • Tautomer Count: 5
  • XLogP3: 0.8
  • Topological Polar Surface Area: 69.7
  • Molecular Weight: 202.20

Experimental Properties

  • Color/Form: Colorless Transparent Liquid
  • Density: 1.0834
  • Melting Point: No data available
  • Boiling Point: 232°C at 760 mmHg
  • Flash Point: 119-120°C/17mm
  • Refractive Index: 1.4435 (estimate)
  • Water Partition Coefficient: Not miscible in water.
  • PSA: 69.67000
  • LogP: 0.31780

Diethyl 2-Acetylmalonate Security Information

Diethyl 2-Acetylmalonate 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%

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Diethyl 2-Acetylmalonate Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:570-08-1)Diethyl 2-Acetylmalonate
Order Number:A831279
Stock Status:in Stock
Quantity:500g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:21
Price ($):571.0

Diethyl 2-Acetylmalonate Related Literature

Additional information on Diethyl 2-Acetylmalonate

Comprehensive Guide to Diethyl 2-Acetylmalonate (CAS No. 570-08-1): Properties, Applications, and Industry Insights

Diethyl 2-Acetylmalonate (CAS No. 570-08-1), a versatile organic compound, is widely recognized for its role in synthetic chemistry and pharmaceutical intermediates. This ester derivative of malonic acid features a acetyl group at the 2-position, enhancing its reactivity in Knoevenagel condensations and Michael additions. Its molecular formula, C9H14O5, and unique structure make it invaluable for constructing complex heterocycles and fine chemicals. Researchers frequently search for "Diethyl 2-Acetylmalonate synthesis" or "CAS 570-08-1 applications," reflecting its industrial relevance.

In recent years, the demand for Diethyl 2-Acetylmalonate has surged due to its utility in green chemistry and sustainable synthesis. As industries pivot toward eco-friendly processes, this compound’s role in catalyzed reactions and solvent-free protocols has gained attention. Popular queries like "biodegradable malonate derivatives" or "570-08-1 in drug discovery" highlight its alignment with modern scientific trends. Its low toxicity and compatibility with enzymatic transformations further bolster its appeal.

The physical properties of Diethyl 2-Acetylmalonate include a clear liquid appearance, a boiling point of ~250°C, and solubility in common organic solvents. These traits facilitate its use in multistep organic synthesis, particularly for flavoring agents and agrochemicals. SEO-optimized terms such as "high-purity 570-08-1 supplier" or "Diethyl 2-Acetylmalonate NMR data" are frequently linked to procurement and analytical needs. The compound’s stability under inert atmospheres ensures long shelf life, a key concern for manufacturers.

Innovative applications of CAS 570-08-1 extend to material science, where it serves as a precursor for polymeric coatings and UV stabilizers. With rising interest in "smart materials" and "advanced organic electronics," researchers explore its derivatization potential. Its chemodivergent reactivity allows tailored modifications, addressing niche demands in nanotechnology and photoresists. Such versatility positions it as a staple in R&D databases.

From a commercial perspective, Diethyl 2-Acetylmalonate is supplied in bulk by specialty chemical firms, with purity grades ranging from 95% to 99%. Queries like "cost-effective 570-08-1 distributors" or "scalable malonate synthesis" dominate B2B searches. Regulatory compliance (e.g., REACH, FDA) and quality certifications are critical purchase drivers, reflecting the compound’s integration into GMP-compliant production workflows.

Future prospects for Diethyl 2-Acetylmalonate include expanding its role in bioconjugation chemistry and peptide modifications. As the pharmaceutical industry targets "next-gen APIs" and "targeted drug delivery," this compound’s adaptability will likely spur innovation. Its synergy with flow chemistry techniques and automated synthesis platforms further underscores its relevance in Industry 4.0.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:570-08-1)Diethyl 2-Acetylmalonate
A831279
Purity:99%
Quantity:500g
Price ($):571.0
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