Cas no 22051-15-6 (Methanone,1H-indol-3-yl(4-methoxyphenyl)-)

Methanone,1H-indol-3-yl(4-methoxyphenyl)- is a synthetic organic compound featuring an indole core substituted with a 4-methoxyphenyl ketone group. This structure imparts unique electronic and steric properties, making it valuable in pharmaceutical and materials research. The compound exhibits potential as an intermediate in the synthesis of bioactive molecules, particularly those targeting serotonin-related pathways due to its indole moiety. Its methoxy group enhances solubility and modulates reactivity, facilitating further functionalization. The product is characterized by high purity and stability under standard conditions, ensuring reliable performance in synthetic applications. Researchers favor it for its versatility in constructing complex heterocyclic frameworks.
Methanone,1H-indol-3-yl(4-methoxyphenyl)- structure
22051-15-6 structure
Product Name:Methanone,1H-indol-3-yl(4-methoxyphenyl)-
CAS No:22051-15-6
MF:C16H13NO2
MW:251.279924154282
CID:257175
PubChem ID:211017
Update Time:2025-10-28

Methanone,1H-indol-3-yl(4-methoxyphenyl)- Chemical and Physical Properties

Names and Identifiers

    • Methanone,1H-indol-3-yl(4-methoxyphenyl)-
    • 3-(p-Methoxybenzoyl)indole
    • 1H-indol-3-yl-(4-methoxyphenyl)methanone
    • 3-(4-ANISOYL)-INDOLE
    • 3-(p-Methoxybenzoyl)
    • (1H-indol-3-yl)(4-methoxyphenyl)methanone
    • (1H-indol-3-yl)-(4-methoxyphenyl)methanone
    • 1H-Indol-3-yl(4-methoxyphenyl)methanone
    • 3-(4-methoxybenzoyl)-1H-indole
    • 3-(4-methoxybenzoyl)indole
    • AC1L4PZ6
    • AC1Q5GCU
    • SureCN8534922
    • KLNHIIYKFBCQQB-UHFFFAOYSA-N
    • GI-558732
    • MLS000104471
    • Oprea1_377330
    • Ketone, indol-3-yl p-methoxyphenyl (6CI,8CI)
    • Methanone, 1H-indol-3-yl(4-methoxyphenyl)-
    • SMR000054406
    • Cambridge id 5106601
    • SR-01000390984
    • 3-ANISOYL-INDOLE
    • SCHEMBL8534922
    • AB00073750-01
    • CHEMBL1429722
    • SR-01000390984-1
    • CHEBI:119826
    • Ketone, indol-3-yl p-methoxyphenyl
    • Oprea1_390244
    • HMS2300N24
    • NS00067964
    • AKOS001589638
    • DTXSID10176528
    • Q27207304
    • CBDivE_002272
    • 22051-15-6
    • MDL: MFCD00429700
    • Inchi: 1S/C16H13NO2/c1-19-12-8-6-11(7-9-12)16(18)14-10-17-15-5-3-2-4-13(14)15/h2-10,17H,1H3
    • InChI Key: KLNHIIYKFBCQQB-UHFFFAOYSA-N
    • SMILES: O=C(C1C=CC(=CC=1)OC)C1=CNC2C=CC=CC1=2

Computed Properties

  • Exact Mass: 251.09500
  • Monoisotopic Mass: 251.094628657g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 323
  • 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: 3.7
  • Topological Polar Surface Area: 42.1?2

Experimental Properties

  • PSA: 42.09000
  • LogP: 3.40750

Methanone,1H-indol-3-yl(4-methoxyphenyl)- Customs Data

  • HS CODE:2933990090
  • Customs Data:

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Methanone,1H-indol-3-yl(4-methoxyphenyl)- Pricemore >>

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Additional information on Methanone,1H-indol-3-yl(4-methoxyphenyl)-

Methanone,1H-indol-3-yl(4-methoxyphenyl)- (CAS No: 22051-15-6) in Modern Chemical Research and Applications

Methanone,1H-indol-3-yl(4-methoxyphenyl)-, identified by its CAS number 22051-15-6, is a significant compound in the realm of chemical and pharmaceutical research. This heterocyclic organic molecule has garnered attention due to its unique structural properties and potential applications in various scientific domains. The compound's molecular structure, featuring an indole moiety linked to a methoxy-substituted phenyl ring via a methanone bridge, makes it a versatile scaffold for further chemical modifications and functionalization.

The indole ring, a prominent feature of Methanone,1H-indol-3-yl(4-methoxyphenyl)-, is well-known for its presence in numerous bioactive natural products and pharmaceuticals. Its aromatic system contributes to the compound's stability and reactivity, making it an attractive candidate for synthetic chemistry. The methoxy group on the phenyl ring introduces additional electronic and steric effects, which can be exploited to fine-tune the compound's properties for specific applications.

In recent years, there has been a surge in research focusing on indole derivatives due to their diverse biological activities. Studies have demonstrated that indole-based compounds exhibit a wide range of pharmacological effects, including antimicrobial, anti-inflammatory, and anticancer properties. The presence of both the indole and methoxyphenyl moieties in Methanone,1H-indol-3-yl(4-methoxyphenyl)- suggests that it may possess similar bioactivities, making it a promising candidate for further investigation.

One of the most compelling aspects of Methanone,1H-indol-3-yl(4-methoxyphenyl)- is its potential as a building block for drug discovery. The compound's unique structure allows for facile modifications at multiple sites, enabling chemists to explore various structural analogs with tailored properties. For instance, functionalization of the indole nitrogen or the methoxyphenyl ring could lead to novel derivatives with enhanced binding affinity or selectivity towards specific biological targets.

Recent advancements in computational chemistry have also highlighted the importance of virtual screening in identifying promising drug candidates. Molecular modeling studies using Methanone,1H-indol-3-yl(4-methoxyphenyl)- as a scaffold have revealed its potential interactions with various protein targets. These simulations have provided valuable insights into the compound's binding mode and have guided the design of more effective derivatives.

The pharmaceutical industry has shown particular interest in indole derivatives due to their potential therapeutic applications. For example, indole-based compounds are being explored as inhibitors of enzymes involved in cancer progression. The structural features of Methanone,1H-indol-3-yl(4-methoxyphenyl)- make it a suitable candidate for developing such inhibitors by targeting key pockets on the enzyme surface.

Beyond pharmaceuticals, Methanone,1H-indol-3-yl(4-methoxyphenyl)- has potential applications in materials science and agrochemicals. Its ability to form stable complexes with metal ions makes it useful in catalytic systems. Additionally, its bioactive properties could be leveraged in the development of novel pesticides or herbicides that target specific pests while minimizing environmental impact.

The synthesis of Methanone,1H-indol-3-yl(4-methoxyphenyl)- presents an interesting challenge for organic chemists. Traditional synthetic routes often involve multi-step processes that require careful optimization to achieve high yields and purity. However, recent innovations in synthetic methodologies have made it possible to access complex indole derivatives more efficiently. These advancements have not only simplified the synthesis but also opened up new avenues for structural diversification.

In conclusion, Methanone,1H-indol-3-yl(4-methoxyphenyl)- (CAS No: 22051-15-6) is a multifaceted compound with significant potential in chemical research and applications. Its unique structural features and bioactive properties make it a valuable scaffold for drug discovery, materials science, and agrochemical development. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in advancing scientific knowledge and innovation.

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