Cas no 2344-09-4 (1,3-Dioxolane,2-(trifluoromethyl)-)

1,3-Dioxolane,2-(trifluoromethyl)- is a fluorinated cyclic acetal characterized by its unique trifluoromethyl group, which enhances its chemical stability and reactivity. This compound is particularly valuable in organic synthesis, serving as a versatile intermediate for pharmaceuticals, agrochemicals, and specialty materials. The presence of the trifluoromethyl group imparts electron-withdrawing properties, improving its utility in nucleophilic and electrophilic reactions. Its cyclic structure offers steric control, making it useful in stereoselective transformations. Additionally, the dioxolane ring provides hydrolytic stability, ensuring compatibility with a range of reaction conditions. This compound is well-suited for applications requiring high purity and precise functionalization, making it a preferred choice in advanced synthetic chemistry.
1,3-Dioxolane,2-(trifluoromethyl)- structure
2344-09-4 structure
Product Name:1,3-Dioxolane,2-(trifluoromethyl)-
CAS No:2344-09-4
MF:C4H5F3O2
MW:142.076512098312
MDL:MFCD04038366
CID:250649
PubChem ID:3642049
Update Time:2025-05-25

1,3-Dioxolane,2-(trifluoromethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxolane,2-(trifluoromethyl)-
    • 2-(Trifluoromethyl)dioxolane
    • 2-(trifluoromethyl)-1,3-dioxolane
    • 4-Chlorobenzylmethylsulfide
    • DTXSID80394575
    • CS-0450193
    • SCHEMBL3315130
    • MFCD04038366
    • 2344-09-4
    • 2-trifluoromethyl-1,3-dioxolane
    • FT-0676920
    • AKOS006228802
    • 2-(trifluoromethyl)-1, 3-dioxolane
    • MDL: MFCD04038366
    • Inchi: 1S/C4H5F3O2/c5-4(6,7)3-8-1-2-9-3/h3H,1-2H2
    • InChI Key: SKIIHLUNHCIQAF-UHFFFAOYSA-N
    • SMILES: FC(C1OCCO1)(F)F

Computed Properties

  • Exact Mass: 142.02400
  • Monoisotopic Mass: 142.024
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 94.5
  • 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: 1
  • Topological Polar Surface Area: 18.5?2

Experimental Properties

  • Density: 1.46
  • Boiling Point: 90
  • Flash Point: 3.3°C
  • Refractive Index: 1.354
  • PSA: 18.46000
  • LogP: 0.92160

1,3-Dioxolane,2-(trifluoromethyl)- Security Information

  • Hazard Statement: Flammable
  • Hazardous Material Identification: F
  • HazardClass:FLAMMABLE

1,3-Dioxolane,2-(trifluoromethyl)- Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen 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

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1,3-Dioxolane,2-(trifluoromethyl)- Pricemore >>

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1,3-Dioxolane,2-(trifluoromethyl)- Suppliers

Amadis Chemical Company Limited
Gold Member
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(CAS:2344-09-4)1,3-Dioxolane,2-(trifluoromethyl)-
Order Number:A1145490
Stock Status:in Stock
Quantity:5g/25g
Purity:99%
Pricing Information Last Updated:Thursday, 29 August 2024 23:02
Price ($):310.0/986.0

1,3-Dioxolane,2-(trifluoromethyl)- Related Literature

Additional information on 1,3-Dioxolane,2-(trifluoromethyl)-

Professional Introduction to 1,3-Dioxolane,2-(trifluoromethyl) (CAS No: 2344-09-4)

1,3-Dioxolane,2-(trifluoromethyl), with the chemical formula C?H?F?O?, is a fluorinated dioxolane derivative that has garnered significant attention in the field of organic synthesis and pharmaceutical chemistry due to its unique structural and functional properties. This compound belongs to a class of heterocyclic compounds characterized by a five-membered oxygen-containing ring, which makes it a versatile intermediate in the synthesis of various bioactive molecules. The presence of a trifluoromethyl group at the 2-position enhances its reactivity and stability, making it particularly valuable in the development of advanced materials and drug candidates.

The CAS number 2344-09-4 uniquely identifies this compound in scientific literature and industrial applications. Its molecular structure consists of a dioxolane ring substituted with a trifluoromethyl group, which imparts specific electronic and steric effects that are highly beneficial in medicinal chemistry. The trifluoromethyl group is known to increase metabolic stability, lipophilicity, and binding affinity to biological targets, making it a preferred moiety in drug design.

In recent years, 1,3-dioxolane,2-(trifluoromethyl) has been extensively studied for its potential applications in the synthesis of novel pharmaceuticals. Researchers have leveraged its reactivity to develop new scaffolds for anti-inflammatory, antiviral, and anticancer agents. For instance, studies have demonstrated its utility in constructing complex molecular architectures that exhibit improved pharmacokinetic profiles compared to their non-fluorinated counterparts.

One of the most compelling aspects of 1,3-dioxolane,2-(trifluoromethyl) is its role as a key intermediate in the synthesis of fluorinated heterocycles. These heterocycles are increasingly recognized for their therapeutic potential due to their ability to modulate biological pathways effectively. The trifluoromethyl group enhances the compound's interaction with enzymes and receptors, leading to more potent and selective drug candidates. This has led to several preclinical studies exploring its applications in treating neurological disorders, where precise modulation of biological activity is crucial.

Advances in synthetic methodologies have further expanded the utility of 1,3-dioxolane,2-(trifluoromethyl). Modern techniques such as transition-metal-catalyzed cross-coupling reactions and organometallic chemistry have enabled the efficient construction of complex derivatives with tailored properties. These methods have opened new avenues for drug discovery by allowing chemists to modify the dioxolane core while retaining its inherent reactivity and biological relevance.

The pharmaceutical industry has been particularly interested in 1,3-dioxolane derivatives due to their potential as lead compounds for new therapeutics. The ability to fine-tune the electronic properties of these molecules through strategic substitution has led to several promising candidates entering clinical trials. For example, researchers have investigated analogs of 1,3-dioxolane,2-(trifluoromethyl) that exhibit potent inhibitory effects on enzymes involved in cancer progression.

In addition to pharmaceutical applications, 1,3-dioxolane,2-(trifluoromethyl) has shown promise in materials science. Its unique structural features make it a valuable building block for polymers and specialty chemicals that exhibit enhanced thermal stability and chemical resistance. These properties are particularly desirable in industrial settings where harsh conditions are encountered.

The synthesis of 1,3-dioxolane derivatives often involves multi-step processes that require careful optimization to ensure high yields and purity. Recent research has focused on developing greener synthetic routes that minimize waste and reduce environmental impact. Catalytic methods and solvent-free reactions have been explored as alternatives to traditional approaches, aligning with global efforts toward sustainable chemistry.

The role of computational chemistry in studying 1,3-dioxolane systems cannot be overstated. Molecular modeling techniques have provided insights into the interactions between these compounds and biological targets at an atomic level. This has facilitated the rational design of more effective drug candidates by predicting binding affinities and optimizing molecular structures before experimental validation.

Future research directions for 1,3-dioxolane derivatives include exploring their potential as probes for understanding disease mechanisms at a molecular level. By developing fluorescent or bioluminescent analogs of this compound series, scientists can gain deeper insights into cellular processes relevant to human health and disease.

In conclusion,1,3-Dioxolane,2-(trifluoromethyl) (CAS No: 2344-09-4) is a multifaceted compound with significant applications across pharmaceuticals and materials science. Its unique structural features make it an invaluable tool for synthetic chemists seeking to develop innovative therapeutics and advanced materials. As research continues to uncover new possibilities for this compound,its importance is likely to grow, driving further innovation in both academic and industrial settings.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:2344-09-4)1,3-Dioxolane,2-(trifluoromethyl)-
A1145490
Purity:99%/99%
Quantity:5g/25g
Price ($):310.0/986.0
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