Cas no 7653-94-3 (2,2-Dimethylcyclopropylbenzene)

2,2-Dimethylcyclopropylbenzene is a specialized organic compound featuring a cyclopropane ring substituted with two methyl groups at the 2-position, attached to a benzene moiety. This structure imparts unique steric and electronic properties, making it valuable in synthetic chemistry as a building block for pharmaceuticals, agrochemicals, and advanced materials. Its rigid cyclopropane ring enhances stability while influencing reactivity in cycloaddition and ring-opening reactions. The compound’s well-defined molecular geometry also facilitates studies in stereochemistry and catalysis. High purity grades are available to ensure consistency in research and industrial applications. Its versatility and structural distinctiveness make it a useful intermediate in organic synthesis.
2,2-Dimethylcyclopropylbenzene structure
7653-94-3 structure
Product Name:2,2-Dimethylcyclopropylbenzene
CAS No:7653-94-3
MF:C11H14
MW:146.228863239288
MDL:MFCD01632131
CID:86014
PubChem ID:11008060
Update Time:2025-06-10

2,2-Dimethylcyclopropylbenzene Chemical and Physical Properties

Names and Identifiers

    • 2,2-Dimethylcyclopropylbenzene
    • (2,2-dimethylcyclopropyl)benzene
    • (+-)-1,1-Dimethyl-2-phenyl-cyclopropan
    • (2,2-dimethyl-cyclopropyl)-benzene
    • 1,1-dimethyl-2-phenylcyclopropane
    • 1-phenyl-2,2-dimethylcyclopropane
    • 2,2-DIMETHYL-4-(3-METHYLPHENYL)-4-OXOBUTYRIC ACID
    • Benzene,(2,2-dimethylcyclopropyl)
    • 7653-94-3
    • MFCD01632131
    • DTXSID50451604
    • 3-dimethyl-2-phenylcyclopropane
    • Benzene, (2,2-dimethylcyclopropyl)-
    • MDL: MFCD01632131
    • Inchi: 1S/C11H14/c1-11(2)8-10(11)9-6-4-3-5-7-9/h3-7,10H,8H2,1-2H3
    • InChI Key: CPCCZGGBKTXNOX-UHFFFAOYSA-N
    • SMILES: C1(C)(C)CC1C1C=CC=CC=1

Computed Properties

  • Exact Mass: 146.11000
  • Monoisotopic Mass: 146.109550447g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 140
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.5
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Color/Form: Not available
  • Density: 0.938
  • Boiling Point: 194.8°C at 760 mmHg
  • Flash Point: 62.4°C
  • Refractive Index: 1.522
  • PSA: 0.00000
  • LogP: 3.20010
  • Solubility: Not available

2,2-Dimethylcyclopropylbenzene Security Information

  • Hazardous Material transportation number:UN 1993
  • Hazard Category Code: 10
  • Safety Instruction: S16
  • PackingGroup:II
  • Packing Group:II
  • Packing Group:II
  • Risk Phrases:R10

2,2-Dimethylcyclopropylbenzene Customs Data

  • HS CODE:2902909090
  • Customs Data:

    China Customs Code:

    2902909090

    Overview:

    2902909090. Other aromatic hydrocarbons. VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:2.0%. general tariff:30.0%

    Declaration elements:

    Product Name, component content

    Summary:

    2902909090 other aromatic hydrocarbons.Supervision conditions:None.VAT:17.0%.Tax rebate rate:9.0%.MFN tariff:2.0%.General tariff:30.0%

2,2-Dimethylcyclopropylbenzene Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Cooke Chemical
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7653-94-3 99
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Cooke Chemical
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Additional information on 2,2-Dimethylcyclopropylbenzene

Professional Introduction to 2,2-Dimethylcyclopropylbenzene (CAS No. 7653-94-3)

2,2-Dimethylcyclopropylbenzene, identified by the Chemical Abstracts Service Number (CAS No.) 7653-94-3, is a significant organic compound that has garnered attention in the field of chemical biology and pharmaceutical research. This compound belongs to the class of aromatic hydrocarbons with a unique structural configuration, featuring a cyclopropyl ring substituted with two methyl groups and attached to a benzene ring. The distinctive molecular architecture of 2,2-Dimethylcyclopropylbenzene makes it a valuable scaffold for synthetic chemistry and drug discovery initiatives.

The structural features of 2,2-Dimethylcyclopropylbenzene contribute to its potential utility in various chemical applications. The presence of the cyclopropyl group introduces steric hindrance, which can influence the reactivity and selectivity of the molecule in catalytic processes. Additionally, the benzene ring provides a platform for further functionalization, enabling the synthesis of more complex derivatives. These characteristics have made 2,2-Dimethylcyclopropylbenzene a subject of interest for researchers exploring novel synthetic pathways and molecular interactions.

In recent years, advancements in computational chemistry and molecular modeling have enhanced our understanding of the pharmacological properties of 2,2-Dimethylcyclopropylbenzene. Studies have demonstrated that the compound exhibits promising interactions with biological targets, suggesting its potential as an intermediate in the development of therapeutic agents. The steric environment created by the cyclopropyl substituents may facilitate binding to specific protein receptors, making it a candidate for designing molecules with tailored pharmacokinetic profiles.

One of the most compelling aspects of 2,2-Dimethylcyclopropylbenzene is its role in innovative synthetic methodologies. Researchers have leveraged its structural motifs to develop novel catalysts and reaction protocols that improve efficiency and sustainability in organic synthesis. For instance, recent studies have highlighted its utility in cross-coupling reactions, where it serves as an effective precursor for constructing biaryl frameworks. These findings underscore the importance of 2,2-Dimethylcyclopropylbenzene as a building block in modern chemical synthesis.

The pharmaceutical industry has also shown interest in 2,2-Dimethylcyclopropylbenzene due to its potential as a pharmacophore. By integrating this compound into drug candidates, scientists aim to enhance binding affinity and reduce side effects. Preliminary investigations suggest that derivatives of 2,2-Dimethylcyclopropylbenzene may exhibit inhibitory effects on certain enzymes and receptors implicated in metabolic disorders and inflammatory conditions. Such discoveries highlight the compound's significance in medicinal chemistry research.

From an industrial perspective, the production and handling of 2,2-Dimethylcyclopropylbenzene require careful optimization to ensure high yields and purity. Modern manufacturing techniques, including continuous flow chemistry and green solvent systems, have been explored to improve process efficiency while minimizing environmental impact. These approaches align with global efforts to promote sustainable chemical practices and reduce waste generation.

The future prospects of 2,2-Dimethylcyclopropylbenzene are further illuminated by emerging trends in chemical biology. As our understanding of molecular interactions deepens, new applications for this compound are likely to emerge. Collaborative research initiatives involving academia and industry will be crucial in unlocking its full potential across multiple domains.

In conclusion, 2,2-Dimethylcyclopropylbenzene (CAS No. 7653-94-3) represents a versatile and promising compound with applications spanning synthetic chemistry, pharmaceutical development, and industrial processes. Its unique structural features and functional potential position it as a key player in advancing chemical research and innovation.

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