Cas no 31217-72-8 (1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione)

1-Ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione is a heterocyclic compound featuring a five-membered lactam ring structure. This chemical is notable for its reactivity as a Michael acceptor and its utility in organic synthesis, particularly in the formation of pyrrolidine derivatives and other nitrogen-containing heterocycles. Its electron-deficient double bond facilitates nucleophilic addition reactions, making it a valuable intermediate for pharmaceuticals, agrochemicals, and specialty materials. The ethyl and methyl substituents enhance solubility in organic solvents, improving its handling in synthetic applications. The compound's stability under standard conditions and well-characterized reactivity profile contribute to its reliability in complex synthetic pathways.
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione structure
31217-72-8 structure
Product Name:1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
CAS No:31217-72-8
MF:C7H9NO2
MW:139.151861906052
CID:312808
PubChem ID:35753
Update Time:2025-11-02

1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole-2,5-dione,1-ethyl-3-methyl-
    • 1-ethyl-3-methylpyrrole-2,5-dione
    • 1-Ethyl-3-methyl-1H-pyrrole-2,5-dione
    • DTXSID80185142
    • N-Ethylcitraconimide
    • MALEIMIDE, N-ETHYL-2-METHYL-
    • 5-21-10-00052 (Beilstein Handbook Reference)
    • 31217-72-8
    • 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
    • BRN 0113987
    • EN300-65815
    • N-Ethyl-2-methylmaleimide
    • SCHEMBL4011867
    • Inchi: 1S/C7H9NO2/c1-3-8-6(9)4-5(2)7(8)10/h4H,3H2,1-2H3
    • InChI Key: NKHIHGVHWGKXMQ-UHFFFAOYSA-N
    • SMILES: O=C1C(C)=CC(N1CC)=O

Computed Properties

  • Exact Mass: 139.06337
  • Monoisotopic Mass: 139.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 218
  • 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: 0.8
  • Topological Polar Surface Area: 37.4A^2

Experimental Properties

  • Density: 1.144
  • Boiling Point: 221.6°C at 760 mmHg
  • Flash Point: 91.6°C
  • Refractive Index: 1.502
  • PSA: 37.38

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B439835-25mg
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
31217-72-8
25mg
$ 50.00 2022-06-07
TRC
B439835-50mg
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
31217-72-8
50mg
$ 70.00 2022-06-07
TRC
B439835-250mg
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
31217-72-8
250mg
$ 230.00 2022-06-07
Enamine
EN300-65815-0.05g
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
31217-72-8 95%
0.05g
$64.0 2023-02-13
Enamine
EN300-65815-0.1g
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
31217-72-8 95%
0.1g
$66.0 2023-02-13
Enamine
EN300-65815-0.25g
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
31217-72-8 95%
0.25g
$92.0 2023-02-13
Enamine
EN300-65815-0.5g
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
31217-72-8 95%
0.5g
$175.0 2023-02-13
Enamine
EN300-65815-1.0g
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
31217-72-8 95%
1.0g
$256.0 2023-02-13
Enamine
EN300-65815-2.5g
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
31217-72-8 95%
2.5g
$503.0 2023-02-13
Enamine
EN300-65815-5.0g
1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione
31217-72-8 95%
5.0g
$743.0 2023-02-13

1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione Related Literature

Additional information on 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione

1-Ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione (CAS 31217-72-8): Properties, Applications, and Industry Insights

1-Ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione (CAS 31217-72-8) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and material science research. This pyrrole-2,5-dione derivative exhibits unique chemical properties, making it a valuable intermediate in organic synthesis and drug development. With the growing demand for novel bioactive molecules, compounds like 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione are increasingly important in addressing modern scientific challenges.

The molecular structure of 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione features a five-membered pyrrolidine-2,5-dione core with ethyl and methyl substituents at the 1 and 3 positions respectively. This configuration contributes to its remarkable stability and reactivity profile. Researchers have noted that the N-ethyl group in particular enhances the compound's solubility in organic solvents, while the methyl group at position 3 influences its electronic properties. These structural characteristics make CAS 31217-72-8 particularly interesting for medicinal chemistry applications.

In pharmaceutical research, 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione serves as a key building block for the synthesis of various bioactive molecules. Recent studies have explored its potential as a precursor for small molecule inhibitors targeting specific enzymatic pathways. The compound's versatility is further demonstrated by its use in developing heterocyclic drug candidates, particularly in areas such as neurological disorders and metabolic diseases. With the pharmaceutical industry's increasing focus on targeted therapies, the demand for specialized intermediates like 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione continues to rise.

The material science applications of 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione are equally noteworthy. Researchers have investigated its incorporation into functional polymers and advanced materials due to its ability to modify material properties at the molecular level. The compound's electron-deficient pyrrole ring makes it particularly useful in designing organic electronic materials, including components for organic light-emitting diodes (OLEDs) and organic photovoltaics. As the push for sustainable energy solutions intensifies, materials derived from CAS 31217-72-8 may play a crucial role in next-generation technologies.

Synthetic approaches to 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione typically involve cyclization reactions of appropriately substituted precursors. Modern synthetic protocols emphasize atom economy and green chemistry principles, reflecting the chemical industry's growing environmental consciousness. Recent advancements in catalytic methods have improved the efficiency of producing pyrrole-2,5-dione derivatives, making compounds like 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione more accessible for research and development purposes.

The market for 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione has shown steady growth, driven by increasing R&D activities in both academia and industry. Pharmaceutical companies particularly value high-purity samples of CAS 31217-72-8 for their drug discovery programs. Quality control standards for this compound have become more stringent, with analytical techniques such as HPLC and mass spectrometry being routinely employed to verify purity and structural integrity. Suppliers specializing in fine chemicals and research compounds have reported growing inquiries about this specific pyrrole derivative.

Storage and handling of 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione require standard laboratory precautions. The compound is typically stable under recommended storage conditions, but like many organic compounds, it should be protected from moisture and extreme temperatures. Researchers working with CAS 31217-72-8 should consult the material safety data sheet (MSDS) for specific handling guidelines and always employ proper laboratory safety practices.

Future research directions for 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione include exploring its potential in bioconjugation chemistry and drug delivery systems. The compound's reactive sites offer opportunities for creating targeted molecular probes and biocompatible materials. As computational chemistry tools become more sophisticated, virtual screening of pyrrole-2,5-dione derivatives may reveal new therapeutic applications for this class of compounds.

For researchers seeking information about 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione, several key resources are available. Scientific databases contain numerous references to CAS 31217-72-8 in patent literature and journal articles. Recent publications have focused on its use in medicinal chemistry and material science applications. The compound's growing importance is reflected in its inclusion in several major chemical catalogs and its availability from specialized chemical suppliers worldwide.

In conclusion, 1-ethyl-3-methyl-2,5-dihydro-1H-pyrrole-2,5-dione represents an important class of heterocyclic compounds with diverse applications in modern chemistry. Its unique structural features and reactivity profile make CAS 31217-72-8 valuable for both fundamental research and practical applications. As scientific understanding of pyrrole-2,5-dione chemistry continues to advance, this compound is likely to find even broader utility in addressing contemporary scientific and technological challenges.

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