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tert-Butyl 2-(Methylsulfonyl)Acetate CAS NO 70018-13-2
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CAS No.:70018-13-2
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
tert-Butyl 2-(Methylsulfonyl)Acetate is a high-purity organic building block and synthetic intermediate of significant value in advanced chemical synthesis. Its core utility lies in the sulfonylacetate ester moiety, which serves as a versatile handle for introducing functionalized acetic acid derivatives under controlled conditions. This compound is primarily sought by pharmaceutical R&D and fine chemical manufacturers for the construction of complex molecules, including active pharmaceutical ingredients (APIs) and specialty agrochemicals.
Application
- Pharmaceutical Intermediate: Key building block in the synthesis of novel drug candidates, particularly those requiring functionalized acetic acid or sulfone components.
- Agrochemical Synthesis: Used in the research and production of advanced herbicides, fungicides, and plant growth regulators.
- Peptide Mimetics & Bioactive Molecules: Employed to introduce the sulfonylacetate group into peptide backbones or other bioactive scaffolds to modulate properties like solubility and receptor binding.
- Material Science Precursor: Serves as a monomer or functionalization agent in the development of specialized polymers and advanced materials.
- Cross-Coupling Reactions: Acts as an electrophilic coupling partner in palladium-catalyzed and other metal-mediated cross-coupling reactions to form carbon-carbon bonds.
- Ligand and Catalyst Development: Utilized in the preparation of novel ligands and organocatalysts for asymmetric synthesis.
Basic Information
| Product Name | tert-Butyl 2-(Methylsulfonyl)Acetate |
| CAS No. | 70018-13-2 |
| Molecular Formula | C7H14O4S |
| Molecular Weight | 194.25 g/mol |
| Synonyms | 2-(Methylsulfonyl)acetic acid tert-butyl ester; tert-Butyl (methylsulfonyl)acetate; Acetic acid, 2-(methylsulfonyl)-, 1,1-dimethylethyl ester; (tert-Butoxycarbonylmethyl)(methyl)sulfone; t-Butyl 2-(Methylsulfonyl)Acetate; TBMSA; Methylsulfonylacetic Acid tert-Butyl Ester |
| EINECS | Contact for details |
Quality Control
Our tert-Butyl 2-(Methylsulfonyl)Acetate is manufactured under strict quality management systems. Every batch undergoes rigorous analytical testing including HPLC, GC, and NMR to ensure identity, purity, and consistency. We provide comprehensive Certificates of Analysis (COA) with each shipment, detailing all specified parameters. Our quality commitment supports applications requiring high-purity intermediates for GMP and non-GMP synthesis.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated place at room temperature (typically 15-25°C). Keep away from heat, sparks, and open flame. For long-term storage, consider under an inert atmosphere to maintain optimal purity.
Specification
| Item | Specification |
|---|---|
| Appearance | White to off-white crystalline solid or powder |
| Identification (IR) | Conforms to structure |
| Assay (HPLC) | ≥ 98.0% |
| Purity (GC) | ≥ 97.0% |
| Melting Point | Contact for details |
| Loss on Drying | ≤ 0.5% |
| Residue on Ignition | ≤ 0.1% |
| Heavy Metals | ≤ 20 ppm |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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