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tert-Butyl 4-Fluoro-3-Methylbenzoate CAS NO 171050-00-3
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CAS No.:171050-00-3
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
tert-Butyl 4-Fluoro-3-Methylbenzoate is a high-purity, synthetically valuable benzoate ester derivative, serving as a critical protected intermediate in advanced organic synthesis. Its primary commercial value lies in enabling the efficient construction of complex molecules, particularly in the pharmaceutical sector, where the tert-butyl ester group offers strategic advantages in multi-step synthesis. This compound is essential for research chemists and process development scientists in the pharmaceutical, agrochemical, and advanced materials industries who require reliable, high-quality building blocks for drug discovery and fine chemical manufacturing.
Application
- Pharmaceutical Intermediate: A key protected carboxylic acid synthon for the synthesis of active pharmaceutical ingredients (APIs), especially in the development of fluorinated drug candidates.
- Agrochemical Synthesis: Used in the research and production of advanced herbicides and pesticides, leveraging the stability of the tert-butyl ester.
- Liquid Crystal & OLED Material Precursor: Serves as a building block for fluorinated aromatic compounds used in electronic display and lighting technologies.
- Polymer Modification: Employed to introduce fluorinated benzoate functionalities into specialty polymers to alter surface properties and stability.
- Organic Synthesis Reagent: Utilized in academic and industrial R&D for constructing complex molecular architectures via coupling reactions and further functional group transformations.
- Protecting Group Strategy: The tert-butyl ester group provides orthogonal protection in multi-step synthetic sequences, which can be cleaved under specific acidic conditions.
Basic Information
| Product Name | tert-Butyl 4-Fluoro-3-Methylbenzoate |
| CAS No. | 171050-00-3 |
| Molecular Formula | C₁₂H₁₅FO₂ |
| Molecular Weight | 210.24 g/mol |
| Synonyms | 4-Fluoro-3-methylbenzoic acid tert-butyl ester; Benzoic acid, 4-fluoro-3-methyl-, 1,1-dimethylethyl ester; tert-Butyl 4-fluoro-m-toluate; 1,1-Dimethylethyl 4-fluoro-3-methylbenzoate; 4-Fluoro-3-methyl-benzoic acid tert-butyl ester; t-Butyl 4-fluoro-3-methylbenzoate |
| EINECS | Contact for details |
Quality Control
Our tert-Butyl 4-Fluoro-3-Methylbenzoate is manufactured under strict quality management systems. Each batch undergoes comprehensive analytical testing, including HPLC for purity, GC for residual solvents, and NMR/IR for structural confirmation, to ensure it meets the stringent requirements of our global clientele. A detailed Certificate of Analysis (COA) is provided with every shipment, documenting identity, purity, and impurity profiles to support your regulatory and R&D needs.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at a controlled room temperature (15-25°C). Keep away from strong acids and incompatible materials such as strong oxidizing agents. For long-term storage under inert atmosphere, please contact our technical team for specific recommendations.
Specification
| Item | Specification |
|---|---|
| Appearance | Colorless to pale yellow liquid or low-melting solid |
| Identification (IR) | Conforms to structure |
| Assay (HPLC) | ≥ 98.0% |
| Related Substances (HPLC) | Total impurities ≤ 2.0% |
| Water Content (KF) | ≤ 0.5% |
| Residual Solvents (GC) | Meets ICH guidelines |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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