Cas no 4835-39-6 (N-(4-Nitrophenyl)-3-oxo-butanamide)

N-(4-Nitrophenyl)-3-oxo-butanamide is a synthetic organic compound featuring a nitrophenyl group linked to a β-ketoamide moiety. This structure confers reactivity useful in organic synthesis, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, and fine chemicals. The presence of both the nitro and keto functional groups enhances its utility in nucleophilic substitution and condensation reactions. Its crystalline solid form ensures stability under standard conditions, facilitating handling and storage. The compound’s well-defined molecular architecture allows for precise modifications, making it valuable in research and industrial applications requiring tailored chemical properties. High purity grades are available to meet stringent experimental or production requirements.
N-(4-Nitrophenyl)-3-oxo-butanamide structure
4835-39-6 structure
Product Name:N-(4-Nitrophenyl)-3-oxo-butanamide
CAS No:4835-39-6
MF:C10H10N2O4
MW:222.197402477264
CID:45350
PubChem ID:253662374
Update Time:2025-05-20

N-(4-Nitrophenyl)-3-oxo-butanamide Chemical and Physical Properties

Names and Identifiers

    • N-(4-Nitrophenyl)-3-oxobutanamide
    • 4'-Nitroacetoacetanilide
    • N-(4-Nitrophenyl)-3-oxobutyramide
    • N-(4-NITRO-PHENYL)-3-OXO-BUTYRAMIDE
    • Acetoacet-p-nitroanilide(AAPNA)
    • N-(4-nitrophenyl)-2-acetylacetamide
    • N-(4-nitrophenyl)acetoacetamide
    • N-para-nitrophenylacetoacetamide
    • p-nitro acetoacetanilide
    • KCXJQNDNGLRYBN-UHFFFAOYSA-N
    • NSC25193
    • N-(4-nitrophenyl)-3-oxo-butyramide
    • N-(4-nitrophenyl)-3-oxobutamide
    • Acetoacetamide, N-(4-nitrophenyl)-
    • STK097825
    • SBB006289
    • N-(4-Nitrophenyl)-3-oxo-butana
    • NSC-25193
    • N0990
    • NS00031789
    • T72513
    • SCHEMBL23811
    • DTXSID90197493
    • AKOS000115176
    • N-(4-Nitrophenyl)-3-oxo-butanamide
    • SB79628
    • Butanamide, N-(4-nitrophenyl)-3-oxo-
    • N-(4-Nitrophenyl)-3-oxobutanamide #
    • EINECS 225-418-2
    • AS-58254
    • A827515
    • SR-01000514749-1
    • NSC 25193
    • CS-0307499
    • SR-01000514749
    • Acetoacet-p-nitroanilide
    • MFCD00452522
    • EN300-01366
    • 4835-39-6
    • MDL: MFCD00452522
    • Inchi: 1S/C10H10N2O4/c1-7(13)6-10(14)11-8-2-4-9(5-3-8)12(15)16/h2-5H,6H2,1H3,(H,11,14)
    • InChI Key: KCXJQNDNGLRYBN-UHFFFAOYSA-N
    • SMILES: O=C(CC(C)=O)NC1C=CC(=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 222.06400
  • Monoisotopic Mass: 222.064
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 290
  • 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: 8
  • XLogP3: 2.1
  • Topological Polar Surface Area: 92

Experimental Properties

  • Color/Form: NA
  • Density: 1.331
  • Melting Point: 119.0 to 124.0 deg-C
  • Boiling Point: 498.6 °C at 760 mmHg
  • Flash Point: 498.6 °C at 760 mmHg
  • Refractive Index: 1.601
  • PSA: 91.99000
  • LogP: 2.10860
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

N-(4-Nitrophenyl)-3-oxo-butanamide Security Information

N-(4-Nitrophenyl)-3-oxo-butanamide Customs Data

  • HS CODE:2924299090
  • Customs Data:

    China Customs Code:

    2924299090

    Overview:

    2924299090. Other cyclic amides(Including cyclic carbamates)(Including their derivatives as well as their salts). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, packing

    Summary:

    2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

N-(4-Nitrophenyl)-3-oxo-butanamide Pricemore >>

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N-(4-Nitrophenyl)-3-oxo-butanamide Suppliers

Amadis Chemical Company Limited
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(CAS:4835-39-6)N-(4-Nitrophenyl)-3-oxo-butanamide
Order Number:A827515
Stock Status:in Stock
Quantity:1g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 16:11
Price ($):216.0

Additional information on N-(4-Nitrophenyl)-3-oxo-butanamide

Introduction to N-(4-Nitrophenyl)-3-oxo-butanamide (CAS No. 4835-39-6)

N-(4-Nitrophenyl)-3-oxo-butanamide, identified by its CAS number 4835-39-6, is a significant compound in the field of organic chemistry and pharmaceutical research. This compound has garnered attention due to its unique structural properties and potential applications in various chemical and biological studies. The presence of both a nitro group and an amide functionality makes it a versatile molecule for further derivatization and functionalization, which are crucial steps in drug development.

The molecular structure of N-(4-Nitrophenyl)-3-oxo-butanamide consists of a benzene ring substituted with a nitro group at the 4-position, connected to a butanamide moiety. This arrangement imparts specific electronic and steric properties that can influence its reactivity and interaction with biological targets. The nitro group, in particular, is known for its ability to participate in various chemical reactions, including reduction to an amine or diazotization, while the amide group can serve as a pharmacophore in drug design.

In recent years, there has been a growing interest in exploring the pharmacological potential of nitroaromatic compounds. Studies have shown that nitroaromatics can exhibit a wide range of biological activities, including anti-inflammatory, antimicrobial, and anticancer properties. The compound N-(4-Nitrophenyl)-3-oxo-butanamide is no exception and has been investigated for its possible role in modulating biological pathways.

One of the most intriguing aspects of N-(4-Nitrophenyl)-3-oxo-butanamide is its potential as a precursor in the synthesis of more complex molecules. The nitro group can be selectively reduced to an amine, which can then be further functionalized through various reactions such as coupling with carboxylic acids or aldehydes. This flexibility makes it a valuable intermediate in the synthesis of peptidomimetics and other bioactive molecules.

The amide functionality in N-(4-Nitrophenyl)-3-oxo-butanamide also plays a crucial role in its pharmacological profile. Amides are well-known for their ability to interact with biological targets such as enzymes and receptors, often leading to therapeutic effects. Research has demonstrated that modifications at the amide bond can significantly alter the pharmacokinetic and pharmacodynamic properties of a drug molecule. Therefore, N-(4-Nitrophenyl)-3-oxo-butanamide could serve as a scaffold for developing novel therapeutic agents.

In addition to its synthetic utility, N-(4-Nitrophenyl)-3-oxo-butanamide has been studied for its potential role in chemical biology research. The compound's ability to interact with biological systems makes it a useful tool for investigating enzyme mechanisms and metabolic pathways. For instance, it can be used as an inhibitor or substrate in enzymatic reactions, providing insights into the function of key enzymes involved in disease pathways.

The latest advancements in computational chemistry have also highlighted the importance of N-(4-Nitrophenyl)-3-oxo-butanamide4-Nitrophenyl-)< strong >3-oxo-butanamide make it an attractive candidate for identifying new drug candidates through computational methods.

In conclusion, N-(4-Nitrophenyl)-3-oxo-butanamide (CAS No. 4835-39-6) is a multifaceted compound with significant potential in pharmaceutical research and chemical synthesis. Its unique structural features, combined with its reactivity and biological activity, make it a valuable tool for drug discovery and mechanistic studies. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in the development of novel therapeutic agents.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:4835-39-6)N-(4-Nitrophenyl)-3-oxo-butanamide
A827515
Purity:99%
Quantity:1g
Price ($):216.0
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