Cas no 731772-18-2 (2-Bromo-3-(3-methylphenyl)-1-propene)

2-Bromo-3-(3-methylphenyl)-1-propene is a brominated aromatic compound featuring a propene backbone substituted with a 3-methylphenyl group. This organobromine intermediate is valuable in synthetic organic chemistry, particularly in cross-coupling reactions and as a building block for pharmaceuticals and agrochemicals. The presence of both a reactive bromine atom and an alkenyl group enhances its utility in nucleophilic substitutions and polymerization processes. Its well-defined structure ensures consistent reactivity, making it suitable for precise synthetic applications. The compound is typically handled under controlled conditions due to its sensitivity to light and moisture. Proper storage in inert atmospheres is recommended to maintain stability.
2-Bromo-3-(3-methylphenyl)-1-propene structure
731772-18-2 structure
Product Name:2-Bromo-3-(3-methylphenyl)-1-propene
CAS No:731772-18-2
MF:C10H11Br
MW:211.098342180252
MDL:MFCD00671931
CID:875919
PubChem ID:2757068
Update Time:2025-06-29

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

Names and Identifiers

    • 1-(2-bromoprop-2-en-1-yl)-3-methylbenzene
    • 1-(2-bromoprop-2-enyl)-3-methylbenzene
    • 2-Bromo-3-(3-methylphenyl)-1-propene
    • Benzene, 1-(2-bromo-2-propen-1-yl)-3-methyl-
    • AKOS016016705
    • DTXSID00373721
    • MFCD00671931
    • 731772-18-2
    • MDL: MFCD00671931
    • Inchi: 1S/C10H11Br/c1-8-4-3-5-10(6-8)7-9(2)11/h3-6H,2,7H2,1H3
    • InChI Key: MXCFJFSCNHKZJW-UHFFFAOYSA-N
    • SMILES: BrC(=C)CC1C=CC=C(C)C=1

Computed Properties

  • Exact Mass: 210.00441g/mol
  • Monoisotopic Mass: 210.00441g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 140
  • 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: 3.8
  • Topological Polar Surface Area: 0?2

2-Bromo-3-(3-methylphenyl)-1-propene Pricemore >>

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2-Bromo-3-(3-methylphenyl)-1-propene Related Literature

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

Comprehensive Overview of 2-Bromo-3-(3-methylphenyl)-1-propene (CAS No. 731772-18-2): Properties, Applications, and Industry Insights

2-Bromo-3-(3-methylphenyl)-1-propene (CAS No. 731772-18-2) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. This brominated aromatic propene derivative serves as a versatile intermediate in synthetic chemistry, particularly in the development of bioactive molecules. Its molecular formula, C10H11Br, and distinct bromo-alkene functionality make it valuable for cross-coupling reactions, a topic frequently searched by chemists exploring palladium-catalyzed transformations.

Recent trends in green chemistry have amplified interest in optimizing the synthesis of compounds like 2-Bromo-3-(3-methylphenyl)-1-propene. Researchers are investigating solvent-free or low-waste methodologies to align with sustainable synthesis principles—a hot topic in 2024. Analytical techniques such as GC-MS and NMR spectroscopy are commonly employed to characterize this compound, addressing frequent queries about halogenated compound analysis.

The compound’s 3-methylphenyl moiety enhances its lipophilicity, making it relevant in drug discovery for modulating pharmacokinetic properties. This aligns with trending searches on fragment-based drug design and small-molecule probes. Notably, its α,β-unsaturated carbonyl analogs (derivable via oxidation) are explored for bioconjugation applications—a rising focus area in proteomics and chemical biology.

Industrial applications of 731772-18-2 include its use in flavor and fragrance intermediates, where its aromatic profile contributes to complex scent formulations. This connects with growing consumer demand for synthetic aroma chemicals in perfumery. Safety data sheets emphasize standard organic lab precautions, avoiding classifications that restrict its research utility.

Emerging discussions in AI-assisted molecular design often reference bromo-alkenes like this compound as building blocks for machine learning-driven synthesis planning. Patent literature reveals its utility in OLED materials, addressing queries about organic electronic compounds. Storage recommendations (2-8°C under inert gas) and compatibility with Grignard reagents are frequently cited in technical forums.

Environmental fate studies of brominated intermediates remain a key search theme, with 731772-18-2 subject to biodegradation assessments under OECD guidelines. Its vinylic bromide reactivity is leveraged in click chemistry modifications—a technique trending in material science circles. Regulatory databases confirm its non-hazardous status for research-scale handling.

In academic settings, this compound features in advanced organic synthesis coursework demonstrating electrophilic addition mechanisms. Suppliers often highlight its ≥95% purity by HPLC, responding to buyer concerns about impurity profiling. Thermal stability data (decomposition >200°C) make it suitable for high-temperature reactions—a niche search keyword among process chemists.

The growing custom synthesis market has increased demand for tailored derivatives of 2-Bromo-3-(3-methylphenyl)-1-propene, particularly for structure-activity relationship studies. Its cLogP value (~3.1) frequently appears in QSAR modeling discussions, bridging computational and experimental chemistry—a crossover topic dominating 2024 conference agendas.

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