Cas no 42206-47-3 (2-Methyl-2-(4-nitrophenyl)propanoic acid)

2-Methyl-2-(4-nitrophenyl)propanoic acid is a nitrophenyl-substituted carboxylic acid derivative with potential applications in organic synthesis and pharmaceutical research. Its sterically hindered structure, featuring a quaternary carbon center adjacent to the aromatic nitro group, enhances stability and influences reactivity in selective transformations. The nitro group offers versatility for further functionalization, such as reduction to amines or participation in nucleophilic aromatic substitution. This compound may serve as a building block for bioactive molecules or as an intermediate in the synthesis of fine chemicals. Its well-defined molecular structure ensures reproducibility in research applications, making it a valuable reagent for method development and mechanistic studies.
2-Methyl-2-(4-nitrophenyl)propanoic acid structure
42206-47-3 structure
Product Name:2-Methyl-2-(4-nitrophenyl)propanoic acid
CAS No:42206-47-3
MF:C10H11NO4
MW:209.198642969131
MDL:MFCD00816185
CID:927889
Update Time:2025-05-20

2-Methyl-2-(4-nitrophenyl)propanoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-METHYL-2-(4-NITROPHENYL)-PROPIONIC ACID
    • 2-Methyl-2-(4-nitrophenyl)propanoic acid
    • 2-methyl-2-(4-nitrophenyl)propionic acid
    • 2-(4-nitrophenyl)-2-methylpropionic acid
    • 2-methyl-2-(4-nitro-phenyl)-propionic acid
    • 2-Methyl-2-(4-nitro-phenyl)-propionsaeure
    • AC1LFPLS
    • AC1Q1Z59
    • CBMicro_020116
    • CTK4I5853
    • methylnitrophenylpropanoicacid
    • Oprea1_400679
    • SureCN1646651
    • Cambridge id 5406164
    • AFRRWJPNQKSTEY-UHFFFAOYSA-N
    • SBB094167
    • 3080AE
    • PB12705
    • RP12170
    • 2-(4-nitrophenyl)-2-methylpropionic ac
    • AB0075827
    • MDL: MFCD00816185
    • Inchi: 1S/C10H11NO4/c1-10(2,9(12)13)7-3-5-8(6-4-7)11(14)15/h3-6H,1-2H3,(H,12,13)
    • InChI Key: AFRRWJPNQKSTEY-UHFFFAOYSA-N
    • SMILES: OC(C(C)(C)C1C=CC(=CC=1)[N+](=O)[O-])=O

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 261
  • Topological Polar Surface Area: 83.1

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Solid
  • Boiling Point: 365.9℃ at 760 mmHg

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2-Methyl-2-(4-nitrophenyl)propanoic acid Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:42206-47-3)2-Methyl-2-(4-nitrophenyl)propanoic acid
Order Number:A13322
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:00
Price ($):260.0

2-Methyl-2-(4-nitrophenyl)propanoic acid Related Literature

Additional information on 2-Methyl-2-(4-nitrophenyl)propanoic acid

Comprehensive Overview of 2-Methyl-2-(4-nitrophenyl)propanoic acid (CAS No. 42206-47-3)

2-Methyl-2-(4-nitrophenyl)propanoic acid (CAS No. 42206-47-3) is a specialized organic compound widely recognized in pharmaceutical and chemical research. This compound, characterized by its nitrophenyl and propanoic acid functional groups, plays a pivotal role in synthetic chemistry, particularly in the development of intermediates for bioactive molecules. Its unique structure, featuring a methyl group and a nitro substituent, makes it a valuable building block for designing novel compounds with potential applications in medicinal chemistry and material science.

In recent years, the demand for 2-Methyl-2-(4-nitrophenyl)propanoic acid has surged due to its relevance in drug discovery and organic synthesis. Researchers are increasingly exploring its utility in creating enzyme inhibitors and anti-inflammatory agents, aligning with the growing interest in targeted therapies. The compound’s CAS No. 42206-47-3 is frequently searched in academic databases and chemical supplier platforms, reflecting its importance in high-value research. Additionally, its nitrophenyl moiety is often highlighted in studies focusing on photocatalysis and green chemistry, addressing the global push for sustainable synthetic methods.

The synthesis of 2-Methyl-2-(4-nitrophenyl)propanoic acid typically involves Friedel-Crafts acylation or carboxylation reactions, with optimization protocols being a hot topic in peer-reviewed journals. Its crystalline form and solubility profiles are critical for formulation scientists, especially those working on biocompatible polymers or drug delivery systems. Analytical techniques like HPLC and NMR spectroscopy are routinely employed to verify its purity, a key concern for laboratories adhering to Good Manufacturing Practices (GMP).

From an industrial perspective, CAS No. 42206-47-3 is often discussed in the context of scale-up challenges and cost-effective production. Innovations in continuous flow chemistry have been proposed to enhance its synthesis efficiency, reducing waste and energy consumption—a priority for ESG (Environmental, Social, and Governance)-compliant manufacturers. Furthermore, the compound’s patent landscape reveals its inclusion in proprietary formulations, particularly in agrochemicals and specialty chemicals, underscoring its cross-sectoral utility.

For researchers querying "nitrophenyl derivatives applications" or "propanoic acid synthesis," 2-Methyl-2-(4-nitrophenyl)propanoic acid serves as a prime example of structural versatility. Its electron-withdrawing nitro group facilitates diverse electrophilic substitutions, while its carboxylic acid functionality enables further derivatization. These attributes are frequently explored in computational chemistry studies, where molecular docking simulations predict its interactions with biological targets.

In conclusion, 2-Methyl-2-(4-nitrophenyl)propanoic acid (CAS No. 42206-47-3) exemplifies the intersection of fundamental research and applied science. Its multifaceted roles—from pharmaceutical intermediates to material science precursors—make it a compound of enduring interest. As industries and academia prioritize sustainability and innovation, this molecule is poised to remain at the forefront of organic chemistry advancements.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:42206-47-3)2-Methyl-2-(4-nitrophenyl)propanoic acid
A13322
Purity:99%
Quantity:25g
Price ($):260.0
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