Cas no 96-39-9 (1-methylcyclopenta-1,3-diene)

1-Methylcyclopenta-1,3-diene is a cyclic diene with a molecular formula of C6H8, featuring a five-membered ring structure with conjugated double bonds and a methyl substituent. This compound is of interest in organic synthesis and catalysis due to its reactivity as a diene in Diels-Alder reactions, enabling the construction of more complex cyclic frameworks. Its structural properties also make it a potential ligand or intermediate in coordination chemistry and polymer science. The methyl group enhances stability while maintaining reactivity, offering a balance between handling and functional utility. It is typically handled under inert conditions due to its sensitivity to air and moisture.
1-methylcyclopenta-1,3-diene structure
1-methylcyclopenta-1,3-diene structure
Product Name:1-methylcyclopenta-1,3-diene
CAS No:96-39-9
MF:C6H8
MW:80.127721786499
CID:844698
PubChem ID:66775
Update Time:2025-05-24

1-methylcyclopenta-1,3-diene Chemical and Physical Properties

Names and Identifiers

    • 1-methylcyclopenta-1,3-diene
    • 1-methyl-1,3-cyclopentadiene
    • 1-methylcyclopentadiene
    • methylamine*HBr
    • methylamine,hydrobromide
    • Methylammonium bromide
    • methylammonium chloride
    • methylammonium hydrobromide
    • methylazanium bromide
    • methyl-cyclopentadiene
    • monomethylammonium bromide
    • monomethylcyclopentadiene
    • 1-methylcyclopenta-1, 3-diene
    • EINECS 247-757-5
    • 26519-91-5
    • UNII-K4O53GR393
    • Cyclopentadiene, methyl-
    • DTXSID101027739
    • K4O53GR393
    • AKOS028110097
    • NS00028126
    • l,3-Cyclopentadiene,1-methyl-
    • Q5094303
    • Methylcyclopenta-1,3-diene
    • methyl cyclopentadiene
    • CYCLOPENTADIENE, 1-METHYL-
    • Methylcyclopentadiene
    • 96-39-9
    • NSC-157581
    • 1,3-Cyclopentadiene, 1-methyl-
    • 1,3-Cyclopentadiene, methyl-
    • FT-0628868
    • NSC 157581
    • Inchi: 1S/C6H8/c1-6-4-2-3-5-6/h2-4H,5H2,1H3
    • InChI Key: NFWSQSCIDYBUOU-UHFFFAOYSA-N
    • SMILES: C1C=CC=C1C

Computed Properties

  • Exact Mass: 80.06260
  • Monoisotopic Mass: 80.063
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 96.6
  • 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
  • Topological Polar Surface Area: 0A^2
  • XLogP3: 1.8

Experimental Properties

  • Color/Form: Colorless liquid
  • Density: 0.941(4℃/20℃)
  • Melting Point: -51℃
  • Boiling Point: 85.8°Cat760mmHg
  • Flash Point: 26℃
  • Refractive Index: 1.508
  • PSA: 0.00000
  • LogP: 1.89260

1-methylcyclopenta-1,3-diene Security Information

  • Storage Condition:The package shall be complete and handled with care. The warehouse shall be ventilated, kept away from open fire, high temperature and stored separately from oxidant

1-methylcyclopenta-1,3-diene Customs Data

  • HS CODE:2902199090
  • Customs Data:

    China Customs Code:

    2902199090

    Overview:

    2902199090 Other naphthenic hydrocarbons\Cyclic olefins and cyclic terpenes.Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:2.0%.general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902199090 other cyclanes, cyclenes and cyclotherpenes.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

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1-methylcyclopenta-1,3-diene Suppliers

Tiancheng Chemical (Jiangsu) Co., Ltd
Gold Member
Audited Supplier Audited Supplier
(CAS:96-39-9)1-methylcyclopenta-1,3-diene
Order Number:LE4159
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 11:45
Price ($):discuss personally

Additional information on 1-methylcyclopenta-1,3-diene

Recent Advances in the Study of 1-Methylcyclopenta-1,3-diene (CAS: 96-39-9) and Its Applications in Chemical Biology and Pharmaceutical Research

1-Methylcyclopenta-1,3-diene (CAS: 96-39-9) is a cyclic diene compound that has garnered significant attention in recent years due to its versatile applications in chemical biology and pharmaceutical research. This compound, characterized by its unique structural properties, serves as a valuable intermediate in the synthesis of complex organic molecules, including bioactive compounds and pharmaceuticals. Recent studies have explored its potential in drug discovery, material science, and catalysis, highlighting its importance in advancing scientific and industrial applications.

A recent study published in the Journal of Medicinal Chemistry investigated the role of 1-methylcyclopenta-1,3-diene as a precursor in the synthesis of novel anti-inflammatory agents. The researchers utilized a combination of computational modeling and experimental synthesis to design derivatives of the compound, which exhibited promising inhibitory effects on key inflammatory pathways. The study reported a significant reduction in pro-inflammatory cytokine production in vitro, suggesting potential therapeutic applications for conditions such as rheumatoid arthritis and inflammatory bowel disease.

In the field of material science, 1-methylcyclopenta-1,3-diene has been employed as a building block for the development of advanced polymers with tailored properties. A 2023 study in Advanced Materials demonstrated the compound's utility in creating high-performance elastomers with enhanced thermal stability and mechanical strength. These materials show potential for use in biomedical devices, such as drug delivery systems and tissue engineering scaffolds, owing to their biocompatibility and customizable characteristics.

Catalytic applications of 1-methylcyclopenta-1,3-diene have also been a focus of recent research. A team at the Massachusetts Institute of Technology (MIT) reported a breakthrough in asymmetric catalysis using the compound as a ligand in transition metal complexes. Their findings, published in Nature Catalysis, revealed unprecedented enantioselectivity in the synthesis of chiral pharmaceuticals, paving the way for more efficient and sustainable drug manufacturing processes.

Despite these advancements, challenges remain in the large-scale production and application of 1-methylcyclopenta-1,3-diene. Issues such as stability under physiological conditions and scalability of synthesis methods are areas of ongoing investigation. Future research directions may include the development of greener synthetic routes and the exploration of its potential in targeted drug delivery systems.

In conclusion, 1-methylcyclopenta-1,3-diene (CAS: 96-39-9) continues to be a compound of great interest in chemical biology and pharmaceutical research. Its diverse applications, from drug discovery to material science, underscore its importance in advancing scientific knowledge and technological innovation. As research progresses, this compound is likely to play an increasingly prominent role in addressing critical challenges in healthcare and materials engineering.

Recommended suppliers
Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:96-39-9)1-methylcyclopenta-1,3-diene
LE4159
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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