Cas no 1118-66-7 (4-Aminopent-3-en-2-one)

4-Aminopent-3-en-2-one is a versatile β-aminoketone compound characterized by its reactive enamine and carbonyl functionalities. This structure makes it a valuable intermediate in organic synthesis, particularly for constructing heterocycles and complex molecular frameworks. Its ability to participate in condensation, cyclization, and nucleophilic addition reactions enhances its utility in pharmaceutical and agrochemical research. The compound’s stability under controlled conditions and compatibility with various solvents further contribute to its applicability in fine chemical production. Additionally, its bifunctional nature allows for selective modifications, enabling tailored synthetic routes. 4-Aminopent-3-en-2-one is thus a practical building block for advanced chemical development.
4-Aminopent-3-en-2-one structure
4-Aminopent-3-en-2-one structure
Product Name:4-Aminopent-3-en-2-one
CAS No:1118-66-7
MF:C5H9NO
MW:99.1310613155365
MDL:MFCD00043715
CID:40771
PubChem ID:5355751
Update Time:2025-06-09

4-Aminopent-3-en-2-one Chemical and Physical Properties

Names and Identifiers

    • 4-Aminopent-3-en-2-one
    • FLUORAL-P
    • (3E)-4-Amino-3-penten-2-one
    • ACETYLACETONAMINE
    • ACETYLACETONE IMINE
    • TIMTEC-BB SBB007945
    • 4-AMINOPENT-3-EN-2-ONE (FLUORAL-P)
    • 4-Amino-3-Penten-2-One
    • (4-AMino-3-penten-2-one)
    • (E)-4-aminopent-3-en-2-one
    • 3-Penten-2-one, 4-amino-
    • (3E)-4-aminopent-3-en-2-one
    • OSLAYKKXCYSJSF-ONEGZZNKSA-N
    • (E)-4-Amino-3-pentene-2-one
    • 2-Acetyl-1-amino-1-methylethylene
    • (3E)-4-Amino-3-penten-2-one #
    • X3435
    • 118A667
    • Fluoral-P (=4-Amino-3-penten-2-one) [Fluorimetric reagent for aldehydes.]
    • 23652-84-8
    • CHEBI:51693
    • 1118-66-7
    • (Z)-4-amino-pent-3-en-2-one
    • CS-0095595
    • OSLAYKKXCYSJSF-ARJAWSKDSA-N
    • 3-Penten-2-one, 4-amino-, (3Z)-
    • DTXSID801310080
    • CS-0369638
    • (3Z)-4-aminopent-3-en-2-one
    • Q27122715
    • NSC44500
    • Z56858245
    • J-002647
    • AMY24718
    • (Z)-4-aminopent-3-en-2-one
    • EN300-17013
    • (3Z)-4-amino-3-penten-2-one
    • CHEBI:51692
    • AKOS008967217
    • A11050
    • MDL: MFCD00043715
    • Inchi: 1S/C5H9NO/c1-4(6)3-5(2)7/h3H,6H2,1-2H3/b4-3-
    • InChI Key: OSLAYKKXCYSJSF-ARJAWSKDSA-N
    • SMILES: O=C(C)/C=C(/C)\N
    • BRN: 1209344

Computed Properties

  • Exact Mass: 99.06840
  • Monoisotopic Mass: 99.068
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 105
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: 8
  • XLogP3: 0.4
  • Topological Polar Surface Area: 43.1

Experimental Properties

  • Color/Form: Yellow to brown crystals.
  • Density: 1.0343 (rough estimate)
  • Melting Point: 40.0 to 42.0 deg-C
  • Boiling Point: 214°C(lit.)
  • Flash Point: 209-213°C
  • Refractive Index: 1.4370 (estimate)
  • Water Partition Coefficient: Insoluble
  • PSA: 43.09000
  • LogP: 1.13820
  • Sensitiveness: Sensitive to heat \ sensitive to air
  • Solubility: Soluble

4-Aminopent-3-en-2-one Security Information

4-Aminopent-3-en-2-one Customs Data

  • HS CODE:2922399090
  • Customs Data:

    China Customs Code:

    2922399090

    Overview:

    2922399090 Other amino aldehydes\Amino ketones and their salts(Including aminoquinone and its salts,Except those containing more than one oxygen-containing group). 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, The color of ethanolamine and its salt should be reported, The package of ethanolamine and its salt shall be declared

    Summary:

    2922399090 other amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than one kind of oxygen function; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

4-Aminopent-3-en-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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1118-66-7 98.0%(GC&T)
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4-Aminopent-3-en-2-one Related Literature

Additional information on 4-Aminopent-3-en-2-one

Recent Advances in the Study of 4-Aminopent-3-en-2-one (CAS: 1118-66-7): A Comprehensive Research Brief

4-Aminopent-3-en-2-one (CAS: 1118-66-7) is a chemical compound of significant interest in the field of chemical biology and pharmaceutical research. This β-aminoketone derivative has garnered attention due to its versatile reactivity and potential applications in drug discovery, particularly as a building block for the synthesis of bioactive molecules. Recent studies have explored its role in the development of novel therapeutic agents, with a focus on its unique structural and electronic properties that enable diverse chemical transformations.

One of the key areas of research involving 4-Aminopent-3-en-2-one is its utility in the synthesis of heterocyclic compounds, which are prevalent in many FDA-approved drugs. A 2023 study published in the Journal of Medicinal Chemistry demonstrated its effectiveness as a precursor for the construction of pyrrole and pyridine derivatives, which exhibit promising antimicrobial and anticancer activities. The study highlighted the compound's ability to undergo regioselective reactions, enabling the efficient synthesis of complex molecular architectures.

In addition to its synthetic applications, 4-Aminopent-3-en-2-one has been investigated for its potential as a ligand in metal-catalyzed reactions. A recent preprint on ChemRxiv (2024) reported its use in palladium-catalyzed cross-coupling reactions, where it facilitated the formation of carbon-carbon bonds under mild conditions. This advancement is particularly relevant for the pharmaceutical industry, where such reactions are critical for the scalable production of drug candidates.

Another notable development is the exploration of 4-Aminopent-3-en-2-one in the context of prodrug design. Researchers at the University of Cambridge (2023) utilized its ketone functionality to develop pH-sensitive prodrugs that release active therapeutic agents in targeted physiological environments. This approach holds promise for improving the bioavailability and reducing the side effects of existing drugs, particularly in oncology.

Despite these advancements, challenges remain in the large-scale production and purification of 4-Aminopent-3-en-2-one. A 2024 review in Organic Process Research & Development discussed the need for more sustainable and cost-effective synthetic routes, emphasizing the importance of green chemistry principles. Future research directions may focus on biocatalytic methods or flow chemistry to address these limitations.

In conclusion, 4-Aminopent-3-en-2-one (CAS: 1118-66-7) continues to be a valuable scaffold in chemical biology and pharmaceutical research. Its multifaceted reactivity and potential therapeutic applications make it a compound of enduring interest. Ongoing studies are expected to further elucidate its mechanistic pathways and expand its utility in drug discovery and development.

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