Cas no 462068-43-5 (5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid)

5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid is a furan-based carboxylic acid derivative with a structurally unique tert-butyl and hydroxymethyl substitution pattern. This compound is of interest in synthetic organic chemistry due to its multifunctional groups, which enable its use as a versatile intermediate in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The tert-butyl group enhances steric hindrance, potentially improving stability, while the hydroxymethyl and carboxylic acid functionalities offer reactive sites for further derivatization. Its well-defined structure makes it suitable for applications requiring precise molecular modifications, such as ligand design or polymer synthesis. The compound’s purity and consistent performance are critical for reproducible results in research and industrial processes.
5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid structure
462068-43-5 structure
Product Name:5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid
CAS No:462068-43-5
MF:C11H16O4
MW:212.242343902588
CID:1070962
PubChem ID:601774
Update Time:2025-11-02

5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid
    • 5-tert-butyl-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid
    • 2-methyl-4-hydroxymethyl-5-tert-butylfuran-3-carboxylic acid
    • SB61221
    • SR-01000319772
    • 2-methyl-4-hydroxymethyl-5-t-butylfuran-3-carboxylic acid
    • HMS1554N06
    • SCHEMBL11899812
    • Oprea1_514559
    • TimTec1_007332
    • DB-107779
    • AKOS000593155
    • SR-01000319772-1
    • 462068-43-5
    • 5-tert-Butyl-4-(hydroxymethyl)-2-methyl-3-furoic acid #
    • BRD-K88317071-001-02-8
    • 5-(tert-butyl)-4-(hydroxymethyl)-2-methylfuran-3-carboxylic acid
    • DTXSID00345084
    • Oprea1_471262
    • 5-(TERT-BUTYL)-4-(HYDROXYMETHYL)-2-METHYL-3-FUROIC ACID
    • MDL: MFCD02737949
    • Inchi: 1S/C11H16O4/c1-6-8(10(13)14)7(5-12)9(15-6)11(2,3)4/h12H,5H2,1-4H3,(H,13,14)
    • InChI Key: FDSKGVGFTCCVAG-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C(=O)O)C(CO)=C1C(C)(C)C

Computed Properties

  • Exact Mass: 212.10500
  • Monoisotopic Mass: 212.10485899g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 244
  • 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: 1.7
  • Topological Polar Surface Area: 70.7?2

Experimental Properties

  • PSA: 70.67000
  • LogP: 2.07600

5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid Security Information

5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid Customs Data

  • HS CODE:2932190090
  • Customs Data:

    China Customs Code:

    2932190090

    Overview:

    2932190090 Other structurally non fused furan ring compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932190090 other compounds containing an unfused furan ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%

5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid Pricemore >>

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Additional information on 5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid

5-Tert-Butyl-4-Hydroxymethyl-2-Methyl-Furan-3-Carboxylic Acid: A Multifunctional Compound with Promising Applications in Biomedical Research

5-Tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid (CAS No. 462068-43-5) represents a novel class of organic compounds with unique structural features that have garnered significant attention in recent years. This molecule is characterized by its core 2-methyl-furan ring system, which is functionalized with multiple hydrophilic and hydrophobic groups, including a 4-hydroxymethyl substituent and a 5-tert-butyl group. The 3-carboxylic acid functionality further enhances its chemical reactivity and biological activity, making it a versatile platform for the development of advanced materials and pharmaceuticals.

Recent studies in biomedical engineering have highlighted the potential of 5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid as a key building block for the synthesis of biocompatible polymers. Researchers at the University of Tokyo (2023) demonstrated that this compound can be used to create cross-linked hydrogels with tunable mechanical properties, which are particularly suitable for tissue engineering applications. The hydroxymethyl group in this molecule plays a critical role in forming hydrogen bonds with water molecules, thereby enhancing the hydrophilicity of the resulting materials.

From a synthetic chemistry perspective, the 2-methyl-furan ring system provides a stable scaffold for the incorporation of various functional groups. This structural feature allows for the preparation of derivatives with diverse biological activities. For example, a 2023 study published in Advanced Materials showed that 5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid can be modified to produce compounds with enhanced antioxidant properties, which are being explored for their potential in combating oxidative stress-related diseases.

One of the most promising applications of this compound lies in its ability to serve as a precursor for the development of biodegradable polymers. Researchers at the National Institute of Chemistry in Slovenia (2023) have demonstrated that the 3-carboxylic acid group can be hydrolyzed under physiological conditions, making it an attractive candidate for drug delivery systems. This property is particularly valuable in the context of controlled drug release technologies, where precise regulation of release kinetics is essential for therapeutic efficacy.

The tert-butyl substituent in this molecule contributes to its stability in aqueous environments, which is a critical factor in its application as a pharmaceutical excipient. A 2023 review in Pharmaceutical Research highlighted that the 4-hydroxymethyl group can act as a site for further functionalization, enabling the creation of multifunctional molecules with tailored properties. This versatility has led to its exploration in the development of targeted drug delivery systems and nanoparticle-based therapies.

Recent advances in computational chemistry have provided new insights into the molecular interactions of 5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid. A 2023 study using molecular dynamics simulations published in Journal of Molecular Biology revealed that the 2-methyl-furan ring system can form stable hydrogen bonds with biomolecules, which may have implications for its use in protein-ligand interactions and enzyme inhibition studies.

The carboxylic acid functionality of this compound has also been investigated for its potential in surface modification applications. A 2023 paper in ACS Applied Materials & Interfaces demonstrated that the 3-carboxylic acid group can be used to functionalize surfaces with high affinity for specific biomolecules, which is a crucial requirement for the development of bio-sensing devices and diagnostic tools.

From a material science perspective, the ability to incorporate 5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid into polymer matrices has opened new avenues for the creation of smart materials. A 2023 study in Materials Today showed that the hydroxymethyl group can be used to introduce stimuli-responsive properties into polymer networks, enabling the development of temperature-sensitive hydrogels and light-responsive coatings.

The tert-butyl substituent also plays a role in modulating the solubility and crystallinity of the compound, which are important factors in its application as a pharmaceutical excipient. A 2023 review in Drug Delivery and Translational Research highlighted that the presence of the 4-hydroxymethyl group can significantly enhance the solubility of the compound in aqueous environments, which is a critical requirement for its use in oral drug formulations.

Recent advances in nanotechnology have further expanded the potential applications of 5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid. A 2023 study published in Nano Letters demonstrated that this compound can be used as a building block for the synthesis of nanoparticles with tunable surface properties, which have potential applications in drug delivery and imaging technologies.

In conclusion, 5-tert-Butyl-4-hydroxymethyl-2-methyl-furan-3-carboxylic acid represents a promising candidate for the development of advanced materials and pharmaceuticals due to its unique structural features and functional versatility. Ongoing research in biomedical engineering, synthetic chemistry, and material science continues to uncover new applications for this compound, highlighting its potential as a key player in the next generation of biocompatible materials and pharmaceutical innovations.

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