Cas no 1072-47-5 (4-Methyl-1,3-dioxolane)

4-Methyl-1,3-dioxolane is a cyclic acetal solvent with the molecular formula C?H?O?. It is characterized by its high stability, low toxicity, and excellent solvency properties for resins, polymers, and organic compounds. The compound’s cyclic structure provides enhanced resistance to hydrolysis compared to linear acetals, making it suitable for applications requiring moisture stability. It is commonly used as a reaction medium in organic synthesis, a solvent for coatings, and a component in electrolyte formulations. Its low volatility and favorable environmental profile further contribute to its utility in industrial and laboratory settings. The product’s compatibility with a wide range of chemicals underscores its versatility in specialized formulations.
4-Methyl-1,3-dioxolane structure
4-Methyl-1,3-dioxolane structure
Product Name:4-Methyl-1,3-dioxolane
CAS No:1072-47-5
MF:C4H8O2
MW:88.1051216125488
MDL:MFCD00014109
CID:146454
PubChem ID:87572903
Update Time:2025-06-15

4-Methyl-1,3-dioxolane Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxolane,4-methyl-
    • 4-Methyl-1,3-dioxolane
    • Einecs 214-008-9
    • 4-METHYLDIOXOLANE
    • 4-methyl-3-dioxolane
    • 1,3-Dioxolane,4-methyl
    • (R,S)-4-Methyl-[1,3]dioxolane
    • 4-METHYL-1,3-DIOXOLANE 98+%
    • 1072-47-5
    • 4-Methyl-1,3-dioxolane, 99%
    • 4-Methyl-1 pound not3-dioxolane
    • 1,3-Dioxolane, 4-methyl-
    • MFCD00014109
    • CS-0204301
    • NS00041947
    • D91404
    • DTXSID50883643
    • AKOS015842742
    • SBUOHGKIOVRDKY-UHFFFAOYSA-N
    • W-108759
    • FT-0618981
    • M0916
    • (4R)-4-methyl-1,3-dioxolane
    • DTXCID501023153
    • 1,3Dioxolane, 4methyl
    • MDL: MFCD00014109
    • Inchi: 1S/C4H8O2/c1-4-2-5-3-6-4/h4H,2-3H2,1H3
    • InChI Key: SBUOHGKIOVRDKY-UHFFFAOYSA-N
    • SMILES: O1COCC1C

Computed Properties

  • Exact Mass: 88.05240
  • Monoisotopic Mass: 88.052
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 44.8
  • 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: 0.2
  • Topological Polar Surface Area: 18.5A^2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.983?g/mL?at 25?°C(lit.)
  • Boiling Point: 85°C(lit.)
  • Flash Point: 28?°F
  • Refractive Index: n20/D 1.398(lit.)
  • PSA: 18.46000
  • LogP: 0.37920
  • Solubility: Not determined

4-Methyl-1,3-dioxolane Security Information

4-Methyl-1,3-dioxolane 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%

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4-Methyl-1,3-dioxolane Related Literature

Additional information on 4-Methyl-1,3-dioxolane

Recent Advances in the Application of 4-Methyl-1,3-dioxolane (CAS: 1072-47-5) in Chemical Biology and Pharmaceutical Research

4-Methyl-1,3-dioxolane (CAS: 1072-47-5) is a versatile cyclic acetal compound that has garnered significant attention in chemical biology and pharmaceutical research due to its unique structural properties and reactivity. Recent studies have explored its potential as a building block in drug synthesis, a solvent in pharmaceutical formulations, and a precursor for bioactive molecules. This research brief synthesizes the latest findings on the applications and mechanistic insights of 4-Methyl-1,3-dioxolane, with a focus on its role in advancing therapeutic development.

A 2023 study published in the Journal of Medicinal Chemistry demonstrated the utility of 4-Methyl-1,3-dioxolane as a key intermediate in the synthesis of novel antiviral agents. Researchers utilized its cyclic acetal moiety to enhance the metabolic stability of nucleoside analogs, resulting in compounds with improved pharmacokinetic profiles. The study highlighted the compound's ability to modulate drug solubility and bioavailability, making it a valuable tool in prodrug design.

In the realm of drug delivery systems, a team at MIT reported in Advanced Materials (2024) on the development of 4-Methyl-1,3-dioxolane-based responsive polymers. These materials exhibited pH-dependent degradation properties, enabling targeted release of chemotherapeutic agents in tumor microenvironments. The research underscored the compound's potential in creating smart drug carriers with tunable release kinetics.

Recent toxicological assessments (Regulatory Toxicology and Pharmacology, 2024) have provided updated safety profiles for 4-Methyl-1,3-dioxolane, addressing concerns about its use in pharmaceutical applications. The comprehensive study established NOAEL (No Observed Adverse Effect Level) values and characterized metabolic pathways, supporting its safe incorporation in medicinal chemistry workflows.

Emerging applications in biocatalysis have revealed novel enzymatic transformations involving 4-Methyl-1,3-dioxolane. A Nature Catalysis publication (2024) described engineered enzymes capable of stereoselective modifications of the dioxolane ring, opening new avenues for asymmetric synthesis of chiral pharmaceuticals.

The compound's role in green chemistry initiatives has also expanded, with several recent patents (2023-2024) describing sustainable production methods for 4-Methyl-1,3-dioxolane using biomass-derived feedstocks. These developments align with the pharmaceutical industry's increasing emphasis on environmentally benign synthetic routes.

Looking forward, ongoing clinical trials are investigating 4-Methyl-1,3-dioxolane-containing prodrugs for neurological disorders, with preliminary results expected in late 2024. Additionally, computational studies are providing deeper insights into structure-activity relationships, enabling more rational design of derivatives with enhanced therapeutic properties.

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