CAS · 28562-68-7
Product Overview
3-Methyl-3-oxetanecarboxylic Acid is a high-purity pharmaceutical-intermediates supplied for industrial and specialty chemical applications. Contact our team for specifications, packaging options and lead times.
Product Specifications
| Appearance | White powder |
|---|---|
| Purity(GC) | 97% min |
| Water(K.F) | 1.0% max |
| NMR Spectrum | In accordance with the standard |
Applications
1. Pharmaceutical Intermediate
Oxetanes are gaining popularity in medicinal chemistry due to their unique physicochemical properties-such as increased polarity, reduced lipophilicity, and enhanced metabolic stability.
3-Methyl-3-oxetanecarboxylic acid is used as a bioisostere for:
Gem-dimethyl groups
Carbonyl or ether functions
It helps optimize the ADME (Absorption, Distribution, Metabolism, and Excretion) properties of drug candidates.
It can be incorporated into drug-like scaffolds or fragment-based drug discovery (FBDD) libraries.
2. Monomer or Functional Additive in Polymer Chemistry
The oxetane ring serves as a strained ring monomer for radical polymerization or ring-opening polymerization (ROP).
The carboxylic acid group allows covalent attachment to polymer backbones or surfaces.
Useful in synthesizing UV-curable resins, high-performance coatings, and functionalized polymers with increased hardness or chemical resistance.
3. Advanced Materials and Surface Modifiers
Incorporated into functional coatings, adhesives, or crosslinkers due to its reactive oxetane ring.
Can modify surface properties or introduce acid functionality onto materials for further derivatization (e.g., PEGylation, esterification).
4. Organic Synthesis Building Block
Serves as a versatile intermediate for synthesizing complex molecules.
The ring strain makes it highly reactive in nucleophilic ring-opening, esterification, or amide coupling reactions.
Can be used to introduce rigid, polar oxetane moieties into larger structures.
5. Agrochemical R&D
Potential use in the development of agrochemicals where oxetane-containing structures can improve biological activity or environmental stability.
Acts as a scaffold for developing herbicides, fungicides, or plant growth regulators.
Benefits
High Reactivity: The strained oxetane ring is prone to ring-opening under mild conditions, enabling diverse chemical transformations.
Drug-Like Modifications: Improves aqueous solubility, reduces lipophilicity, and offers metabolic stability when used as a structural motif in drug design.
Small and Rigid Structure: Useful in conformational restriction of flexible molecules, which can enhance binding affinity and selectivity in drug targets.
Dual Functionality: Contains both a reactive ring and a carboxylic acid, allowing two orthogonal sites for derivatization or coupling.
Valuable in Modern Medicinal Chemistry: Supports exploration of non-traditional ring systems, especially relevant in designing new chemical entities (NCEs) with improved pharmacokinetics.
Conclusion
3-Methyl-3-oxetanecarboxylic acid (CAS 28562-68-7) is a versatile and highly valuable compound in modern synthetic chemistry, especially for pharmaceuticals, materials science, and advanced organic synthesis. Its strained oxetane ring and carboxylic acid functionality make it a powerful tool for building innovative, functional molecules with desirable physicochemical and biological properties. As interest in oxetane chemistry continues to grow, this compound is increasingly important in research and development across multiple scientific fields.
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