Cas no 2049-80-1 (Diethyl allylmalonate)

Diethyl allylmalonate (CAS 2049-80-1) is a versatile ester derivative of malonic acid, characterized by the presence of an allyl group and two ethyl ester functionalities. This compound serves as a valuable intermediate in organic synthesis, particularly in Michael additions, alkylations, and cyclization reactions. Its reactive allyl group enables facile functionalization, making it useful in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The ethyl ester moieties enhance solubility in organic solvents, facilitating straightforward handling and purification. Diethyl allylmalonate is also employed in the synthesis of heterocyclic compounds and as a building block for complex molecular architectures. Its stability and reactivity balance make it a preferred choice for synthetic applications.
Diethyl allylmalonate structure
Diethyl allylmalonate structure
Product Name:Diethyl allylmalonate
CAS No:2049-80-1
MF:C10H16O4
MW:200.231643676758
MDL:MFCD00009155
CID:42374
PubChem ID:74900
Update Time:2025-11-02

Diethyl allylmalonate Chemical and Physical Properties

Names and Identifiers

    • Diethyl allylmalonate
    • Allyldiethylmalonate
    • Allylmalonic acid diethyl ester
    • diethyl 2-prop-2-enylpropanedioate
    • diethyl 2-allyl-malonate
    • Diethyl prop-2-enylpropanedioate
    • Ethyl allylmalonate
    • Propanedioic acid,2-propenyl-,diethyl ester
    • 2-Propenylpropanedioic acid diethyl ester
    • Diethyl 2-allylmalonate
    • Diethyl 2-(prop-2-enyl)malonate
    • Malonic acid, allyl-, diethyl ester
    • Propanedioic acid, 2-propenyl-, diethyl ester
    • Propanedioic acid, 2-(2-propen-1-yl)-, 1,3-diethyl ester
    • Diethyl 2-(2-propenyl)-1,3-propanedioate
    • ALLYL MALONIC ACID
    • diethyl 2-allylpropanedioate
    • 1,3-diethyl 2-(prop-2-en-1-yl)propanedioate
    • 2
    • EN300-85756
    • AS-70112
    • Diethylallylmalonate
    • 2049-80-1
    • A814606
    • diethyl allyl-malonate
    • prop-2-enyl-propanedioic acid diethyl ester
    • AKOS002710300
    • NSC67393
    • NSC-67393
    • NSC 67393
    • DTXSID30883787
    • Allylmalonic acid, diethyl ester
    • AI3-11069
    • CBDivE_005373
    • Diethyl allylmalonate, purum, >=95.0% (GC)
    • UNII-M5ETZ38HUJ
    • SCHEMBL793641
    • EINECS 218-072-9
    • 2-Allyl-malonic acid diethyl ester
    • 2-allyl-propanedioic acid diethyl ester
    • FT-0622049
    • D88232
    • InChI=1/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H
    • NSC8777
    • NSC-8777
    • Diethyl allylmalonate, 95%
    • M5ETZ38HUJ
    • MFCD00009155
    • SY027830
    • J-013360
    • Diethyl-allyl-malonate
    • NS00046455
    • CS-0011112
    • A0231
    • NSC 8777
    • 2-allylmalonic acid diethyl ester
    • 3-(3-ethylpent-2-enoxy)-3-oxo-propanoate
    • Z1258763580
    • diethyl prop-2-en-1-ylpropanedioate
    • DB-045245
    • STL282780
    • DTXCID901023274
    • MDL: MFCD00009155
    • Inchi: 1S/C10H16O4/c1-4-7-8(9(11)13-5-2)10(12)14-6-3/h4,8H,1,5-7H2,2-3H3
    • InChI Key: GDWAYKGILJJNBB-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)CC=C)=O
    • BRN: 1709466

Computed Properties

  • Exact Mass: 200.10500
  • Monoisotopic Mass: 200.104859
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 8
  • Complexity: 192
  • 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: nothing
  • XLogP3: 1.9
  • Topological Polar Surface Area: 52.6

Experimental Properties

  • Color/Form: liquid
  • Density: 1.015
  • Melting Point: 222-223°C
  • Boiling Point: 222-223 oC
  • Flash Point: 92 oC
  • Refractive Index: 1.43-1.432
  • Water Partition Coefficient: Not miscible or difficult to mix with water.
  • PSA: 52.60000
  • LogP: 1.30490
  • Solubility: Insoluble in water

Diethyl allylmalonate Security Information

Diethyl allylmalonate Customs Data

  • HS CODE:29171990
  • Customs Data:

    China Customs Code:

    2917190090

    Overview:

    2917190090 Other acyclic polycarboxylic acids. 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, Terephthalic acid please specify4-CBAvalue, Terephthalic acid please specifyP-TLacid value, Terephthalic acid please indicate color, Terephthalic acid please indicate moisture

    Summary:

    2917190090 acyclic polycarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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Diethyl allylmalonate Suppliers

Amadis Chemical Company Limited
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(CAS:2049-80-1)Diethyl allylmalonate
Order Number:A814606
Stock Status:in Stock
Quantity:500g/100g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 05:01
Price ($):648.0/306.0
Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:2049-80-1)烯丙基丙二酸二乙酯
Order Number:LE26391443
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:55
Price ($):discuss personally

Diethyl allylmalonate Related Literature

Additional information on Diethyl allylmalonate

Diethyl Allylmalonate (CAS No. 2049-80-1): Properties, Applications, and Market Insights

Diethyl allylmalonate (CAS No. 2049-80-1) is a versatile organic compound widely used in pharmaceutical, agrochemical, and specialty chemical industries. This ester derivative of malonic acid is known for its unique reactivity, making it a valuable intermediate in organic synthesis. With the growing demand for sustainable and efficient chemical processes, diethyl allylmalonate applications have gained significant attention in recent years.

The molecular formula of diethyl allylmalonate is C10H16O4, and it typically appears as a colorless to pale yellow liquid with a characteristic ester-like odor. Its allyl group provides exceptional reactivity in various chemical transformations, particularly in Michael additions and cyclization reactions. Researchers appreciate this compound for its balanced properties: sufficient stability for storage and handling, yet reactive enough for diverse synthetic applications.

In pharmaceutical synthesis, diethyl allylmalonate CAS 2049-80-1 serves as a key building block for creating complex molecular structures. Its ability to undergo multiple bond-forming reactions makes it invaluable for constructing heterocyclic compounds, which form the backbone of many modern medications. Recent studies highlight its role in developing novel anti-inflammatory and antimicrobial agents, aligning with current healthcare priorities.

The agrochemical sector utilizes diethyl allylmalonate in synthesizing advanced crop protection agents. As global agriculture faces challenges from climate change and pesticide resistance, researchers are exploring new formulations where this compound contributes to more effective and environmentally friendly solutions. Its structural features enable the creation of molecules with targeted biological activity while maintaining favorable environmental profiles.

From a market perspective, the demand for high purity diethyl allylmalonate has shown steady growth, particularly in Asia-Pacific regions where pharmaceutical and agrochemical production continues to expand. Manufacturers are responding with improved production methods that emphasize green chemistry principles, reducing waste and energy consumption. This aligns with the industry-wide shift toward sustainable chemical manufacturing practices.

Quality control for diethyl allylmalonate 2049-80-1 typically involves rigorous testing for purity (often ≥98% by GC), water content, and absence of heavy metals. Advanced analytical techniques like HPLC and GC-MS ensure batch-to-batch consistency, which is crucial for its applications in sensitive synthetic processes. Storage recommendations generally include keeping the material in tightly sealed containers under inert atmosphere to prevent degradation.

Recent innovations in diethyl allylmalonate synthesis focus on catalytic methods that improve atom economy and reduce byproduct formation. These developments address two critical industry needs: cost efficiency and environmental responsibility. Some researchers have reported success with heterogeneous catalysts that can be easily recovered and reused, significantly improving the sustainability profile of production processes.

The versatility of allylmalonate derivatives continues to inspire new applications in materials science. Some cutting-edge research explores their use in polymer modification and specialty coatings, where the allyl group's reactivity enables crosslinking and property enhancement. These emerging applications could open additional market opportunities beyond traditional uses in fine chemicals.

Safety considerations for handling diethyl allylmalonate include standard organic chemical precautions: adequate ventilation, chemical-resistant gloves, and eye protection. While not classified as highly hazardous, proper storage away from strong oxidizers and heat sources is recommended. Material safety data sheets provide comprehensive guidance for industrial users.

Looking ahead, the future of diethyl allylmalonate technology appears promising, with potential expansions into bio-based production routes. As the chemical industry seeks alternatives to petroleum-derived raw materials, bio-sourced malonate esters could become increasingly important. This aligns with broader trends toward circular economy principles in chemical manufacturing.

For researchers and industrial users seeking diethyl allylmalonate suppliers, key selection criteria often include production capacity, quality certifications, and technical support capabilities. Many manufacturers now offer customized packaging options and just-in-time delivery to meet diverse customer needs across global markets.

In conclusion, diethyl allylmalonate (CAS 2049-80-1) remains a strategically important chemical intermediate with growing applications across multiple industries. Its combination of synthetic versatility and commercial availability ensures its continued relevance in organic synthesis. As chemical research advances toward more sophisticated and sustainable solutions, this compound will likely maintain its position as a valuable tool for molecular construction.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2049-80-1)Diethyl allylmalonate
A814606
Purity:99%/99%
Quantity:500g/100g
Price ($):648.0/306.0
Email
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:2049-80-1)烯丙基丙二酸二乙酯
LE26391443
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
Email