Cas no 179246-25-4 (Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)-)

Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)-, is a nitroaromatic compound characterized by the presence of a methyl group, a nitro group, and a benzyloxy substituent on the benzene ring. This structure imparts unique reactivity, making it valuable in organic synthesis, particularly as an intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty chemicals. The nitro group enhances electrophilic properties, facilitating further functionalization, while the benzyloxy moiety offers stability and controlled reactivity under selective conditions. Its well-defined molecular architecture ensures consistent performance in coupling and substitution reactions. The compound is typically handled under controlled conditions due to its sensitivity to light and heat, requiring proper storage and handling protocols.
Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)- structure
179246-25-4 structure
Product Name:Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)-
CAS No:179246-25-4
MF:C14H13NO3
MW:243.257923841476
CID:1366016
PubChem ID:89707
Update Time:2025-10-28

Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)-
    • 5-(Benzyloxy)-2-nitrotoluene
    • EINECS 244-988-3
    • SCHEMBL8808139
    • 2-methyl-4-nitro-1-phenylmethoxybenzene
    • 1-(benzyloxy)-2-methyl-4-nitrobenzene
    • NSC 86149
    • 179246-25-4
    • BS-31317
    • Inchi： 1S/C14H13NO3/c1-11-9-13(15(16)17)7-8-14(11)18-10-12-5-3-2-4-6-12/h2-9H,10H2,1H3
    • InChI Key： ZPCZNIYGVQMCOV-UHFFFAOYSA-N
    • SMILES： O(CC1C=CC=CC=1)C1C=CC(=CC=1C)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 243.08959
  • Monoisotopic Mass: 243.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 3
  • Complexity: 271
  • 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: 3.6
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • PSA: 52.37

Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)- Pricemore >>

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Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)- Related Literature

Additional information on Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)-

Recent Advances in the Study of Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)- (CAS: 179246-25-4)

The compound Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)- (CAS: 179246-25-4) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This nitroaromatic compound, characterized by its unique structural features, has shown promising potential in various applications, including drug development and chemical synthesis. Recent studies have focused on elucidating its pharmacological properties, synthetic pathways, and potential therapeutic uses, making it a subject of considerable scientific interest.

One of the key areas of research has been the exploration of the compound's mechanism of action. Preliminary findings suggest that Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)- exhibits notable bioactivity, particularly in modulating specific enzymatic pathways. For instance, a 2023 study published in the Journal of Medicinal Chemistry demonstrated its inhibitory effects on certain cytochrome P450 enzymes, which play a critical role in drug metabolism. This discovery opens new avenues for the development of enzyme inhibitors with potential applications in personalized medicine.

In addition to its pharmacological properties, recent advancements in synthetic chemistry have enabled more efficient and scalable production of Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)-. A study conducted by researchers at the University of Cambridge detailed a novel catalytic method for its synthesis, which significantly reduces the use of hazardous reagents and improves yield. This environmentally friendly approach aligns with the growing emphasis on sustainable chemistry in pharmaceutical manufacturing.

Further investigations into the compound's potential therapeutic applications have revealed its efficacy in preclinical models of inflammatory diseases. A 2024 study in the European Journal of Pharmacology reported that Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)- demonstrated anti-inflammatory effects in murine models, suggesting its potential as a lead compound for the development of new anti-inflammatory drugs. These findings are particularly relevant given the ongoing need for novel therapeutics with improved safety profiles.

Despite these promising developments, challenges remain in the clinical translation of Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)-. Issues such as bioavailability, toxicity, and formulation stability need to be addressed through further research. Collaborative efforts between academic institutions and pharmaceutical companies are essential to overcome these hurdles and bring this compound closer to clinical application.

In conclusion, Benzene, 2-methyl-4-nitro-1-(phenylmethoxy)- (CAS: 179246-25-4) represents a compelling area of research in chemical biology and pharmaceutical sciences. Its unique properties and diverse potential applications underscore the importance of continued investigation. Future studies should focus on optimizing its synthesis, elucidating its molecular targets, and evaluating its safety and efficacy in clinical settings. The insights gained from these efforts could pave the way for innovative therapeutic solutions and advance the field of medicinal chemistry.

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