Cas no 71235-00-2 (4,4,4-Trimethoxybutanoic Acid Methyl Ester)

4,4,4-Trimethoxybutanoic Acid Methyl Ester is a specialized ester compound characterized by its trimethoxy functional group and methyl ester moiety. This product is primarily utilized in organic synthesis and pharmaceutical intermediates due to its reactivity and versatility as a building block. The presence of multiple methoxy groups enhances its solubility in polar solvents, facilitating its use in reactions requiring controlled conditions. Its ester functionality allows for further derivatization, making it valuable in the preparation of complex molecules. The compound’s stability under standard conditions ensures consistent performance in synthetic applications. It is commonly employed in research and industrial settings where precise functional group manipulation is required.
4,4,4-Trimethoxybutanoic Acid Methyl Ester structure
71235-00-2 structure
Product Name:4,4,4-Trimethoxybutanoic Acid Methyl Ester
CAS No:71235-00-2
MF:C8H16O5
MW:192.209643363953
CID:4457306
PubChem ID:13455174
Update Time:2025-05-22

4,4,4-Trimethoxybutanoic Acid Methyl Ester Chemical and Physical Properties

Names and Identifiers

    • methyl 4,4,4-trimethoxybutanoate
    • 4,4,4-Trimethoxybutanoic Acid Methyl Ester
    • OPRCDLSRPWDNOP-UHFFFAOYSA-N
    • Butanoic acid, 4,4,4-trimethoxy-, methyl ester
    • AKOS030255326
    • 994-076-0
    • 71235-00-2
    • CS-0260321
    • DB-128660
    • EN300-7492471
    • DTXCID50492077
    • DTXSID90541290
    • starbld0025373
    • WCA23500
    • Inchi: 1S/C8H16O5/c1-10-7(9)5-6-8(11-2,12-3)13-4/h5-6H2,1-4H3
    • InChI Key: OPRCDLSRPWDNOP-UHFFFAOYSA-N
    • SMILES: C(OC)(=O)CCC(OC)(OC)OC

Computed Properties

  • Exact Mass: 192.09977361Da
  • Monoisotopic Mass: 192.09977361Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 7
  • Complexity: 144
  • 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: 0
  • Topological Polar Surface Area: 54?2

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Additional information on 4,4,4-Trimethoxybutanoic Acid Methyl Ester

Comprehensive Overview of 4,4,4-Trimethoxybutanoic Acid Methyl Ester (CAS No. 71235-00-2): Properties, Applications, and Industry Insights

4,4,4-Trimethoxybutanoic Acid Methyl Ester (CAS No. 71235-00-2) is a specialized organic compound gaining attention in pharmaceutical and fine chemical industries due to its unique structural properties and versatile reactivity. This ester derivative, characterized by three methoxy groups and a methyl ester functionality, serves as a key intermediate in synthetic chemistry. Its molecular formula, C8H16O5, and trimethoxybutanoate backbone make it valuable for designing complex molecules, particularly in drug discovery and flavor/fragrance formulations.

Recent trends in green chemistry have spurred interest in 4,4,4-Trimethoxybutanoic Acid Methyl Ester as a potential bio-based building block. Researchers are exploring its role in sustainable synthesis routes, aligning with global demands for eco-friendly chemical processes. The compound’s ability to participate in multicomponent reactions (MCRs) and its compatibility with catalytic hydrogenation techniques further enhance its industrial relevance. Questions like "How is 4,4,4-Trimethoxybutanoic Acid Methyl Ester used in asymmetric synthesis?" or "What are the solvent effects on its reactivity?" frequently appear in academic forums, reflecting growing curiosity.

From a technical perspective, 71235-00-2 exhibits moderate polarity due to its ester and ether functionalities, making it soluble in common organic solvents such as methanol, ethyl acetate, and dichloromethane. Its stability under inert atmospheres and sensitivity to acidic hydrolysis are critical considerations for storage and handling. Analytical methods like GC-MS and NMR spectroscopy are typically employed for purity verification, addressing common queries such as "How to characterize 4,4,4-Trimethoxybutanoic Acid Methyl Ester?" or "What spectroscopic peaks confirm its structure?".

In pharmaceutical applications, this compound’s methoxy-rich structure enables selective modifications for prodrug development. Its role in synthesizing chiral auxiliaries and protecting groups is documented in peer-reviewed journals, often cited for stereoselective synthesis protocols. The rise of AI-driven molecular design has also spotlighted CAS No. 71235-00-2 as a dataset candidate for machine learning models predicting ester reactivity.

Market analyses indicate increasing procurement of 4,4,4-Trimethoxybutanoic Acid Methyl Ester by contract research organizations (CROs) and custom synthesis providers. Regulatory compliance, such as REACH and FDA guidelines for intermediates, is a recurring topic among buyers. FAQs like "Is CAS 71235-00-2 compliant with ICH Q3C?" or "What are the thermal stability thresholds?" underscore the need for transparent technical documentation.

Future prospects for this compound include potential applications in biodegradable polymers and non-toxic plasticizers, areas where methoxy esters show promise. Collaborative studies between academia and industry continue to explore novel derivatives, ensuring 4,4,4-Trimethoxybutanoic Acid Methyl Ester remains a compound of strategic interest in advanced material science and medicinal chemistry.

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