Cas no 116545-04-1 (2-Bromo-3-(1-naphthyl)-1-propene)

2-Bromo-3-(1-naphthyl)-1-propene is a brominated organic compound featuring a naphthyl group attached to a propene backbone. This structure makes it a valuable intermediate in organic synthesis, particularly for cross-coupling reactions and the construction of complex aromatic frameworks. The presence of both a reactive bromine substituent and a naphthyl moiety enhances its utility in palladium-catalyzed transformations, such as Suzuki or Heck couplings. Its stability under standard conditions allows for convenient handling and storage. Researchers may employ this compound in the development of pharmaceuticals, agrochemicals, or advanced materials, leveraging its ability to introduce naphthyl groups into target molecules with precision.
2-Bromo-3-(1-naphthyl)-1-propene structure
116545-04-1 structure
Product Name:2-Bromo-3-(1-naphthyl)-1-propene
CAS No:116545-04-1
MF:C13H11Br
MW:247.130442857742
MDL:MFCD07775095
CID:1205889
PubChem ID:14434336
Update Time:2025-10-30

2-Bromo-3-(1-naphthyl)-1-propene Chemical and Physical Properties

Names and Identifiers

    • 1-(2-bromoprop-2-enyl)naphthalene
    • 1-(2-bromo-allyl)-naphthalene
    • AGN-PC-001ETU
    • AG-D-38040
    • 1-(2-Brom-allyl)-naphthalin
    • 2-BROMO-3-(1-NAPHTHYL)-1-PROPENE
    • CTK4A9848
    • Naphthalene, 1-(2-bromo-2-propenyl)-
    • 2-BROMO-3-(NAPHTHALEN-1-YL)-1-PROPENE
    • KB-168726
    • 1-(2-Bromoprop-2-en-1-yl)naphthalene
    • 116545-04-1
    • DTXSID30560208
    • MFCD07775095
    • Naphthalene, 1-(2-bromo-2-propen-1-yl)-
    • DB-202945
    • AKOS016017293
    • 2-Bromo-3-(1-naphthyl)-1-propene
    • MDL: MFCD07775095
    • Inchi: 1S/C13H11Br/c1-10(14)9-12-7-4-6-11-5-2-3-8-13(11)12/h2-8H,1,9H2
    • InChI Key: ACVVFAYFCAIJIU-UHFFFAOYSA-N
    • SMILES: BrC(=C)CC1C=CC=C2C=CC=CC=12

Computed Properties

  • Exact Mass: 246.00400
  • Monoisotopic Mass: 246.00441g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 209
  • 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: 5.1
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • PSA: 0.00000
  • LogP: 4.29090

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Additional information on 2-Bromo-3-(1-naphthyl)-1-propene

Recent Advances in the Study of 2-Bromo-3-(1-naphthyl)-1-propene (CAS: 116545-04-1) in Chemical Biology and Pharmaceutical Research

The compound 2-Bromo-3-(1-naphthyl)-1-propene (CAS: 116545-04-1) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential applications in drug discovery. This brief aims to summarize the latest findings related to this compound, focusing on its synthesis, biological activity, and therapeutic potential. The compound's naphthyl and bromo-functionalized propene structure makes it a versatile intermediate for the development of novel bioactive molecules.

Recent studies have explored the synthetic pathways for 2-Bromo-3-(1-naphthyl)-1-propene, highlighting its role as a key intermediate in the synthesis of more complex molecules. Researchers have optimized reaction conditions to improve yield and purity, which is critical for its application in high-throughput screening and medicinal chemistry. The compound's reactivity, particularly its ability to undergo cross-coupling reactions, has been leveraged to create libraries of derivatives with potential pharmacological activities.

In terms of biological activity, preliminary in vitro studies have demonstrated that 2-Bromo-3-(1-naphthyl)-1-propene exhibits moderate inhibitory effects on certain enzymatic targets, including kinases and proteases. These findings suggest its potential as a scaffold for the development of enzyme inhibitors. Moreover, its interaction with cellular membranes and potential to modulate signal transduction pathways are currently under investigation, with promising results in early-stage cell-based assays.

One of the most exciting developments is the exploration of 2-Bromo-3-(1-naphthyl)-1-propene in anticancer research. Recent publications have reported its ability to induce apoptosis in specific cancer cell lines, possibly through the disruption of mitochondrial function. These findings are supported by molecular docking studies, which predict strong binding affinities to proteins involved in cell cycle regulation. However, further in vivo studies are required to validate these observations and assess the compound's safety profile.

In conclusion, 2-Bromo-3-(1-naphthyl)-1-propene (CAS: 116545-04-1) represents a promising candidate for further investigation in drug discovery and chemical biology. Its synthetic accessibility, combined with its diverse biological activities, positions it as a valuable tool for researchers. Future studies should focus on elucidating its mechanism of action, optimizing its pharmacokinetic properties, and exploring its potential in combination therapies. The compound's progress will be closely monitored by the scientific community, as it may pave the way for novel therapeutic interventions.

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