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Understanding the Properties and Specifications of Methyl 3-(3-(trifluoromethyl)phenyl)acrylate

For any chemical compound to be effectively utilized in complex syntheses, a thorough understanding of its properties and specifications is essential. Methyl 3-(3-(trifluoromethyl)phenyl)acrylate, identified by CAS number 87087-35-2, is a specialized organic compound that plays a vital role, particularly as an intermediate in pharmaceutical manufacturing. This article delves into its key physical and chemical characteristics, providing valuable insights for researchers, formulators, and procurement specialists.

The compound, also known by synonyms like methyl m-trifluoromethylcinnamate, presents itself as a white powder. This physical form is typical for many fine chemicals and intermediates, offering ease of handling and storage. Its molecular formula is C11H9F3O2, and its molecular weight is approximately 230.18300 g/mol. These fundamental properties are crucial for stoichiometric calculations in synthetic pathways.

Delving into its physical properties, the density is reported as 1.3±0.1 g/cm³, indicating a moderately dense substance. The boiling point is a significant parameter for processes involving heating or distillation, recorded at 265.7±35.0 °C at standard atmospheric pressure (760 mmHg). This relatively high boiling point suggests good thermal stability under typical reaction conditions. The flash point, at 98.7±18.2 °C, provides an indication of its flammability and the necessary precautions for safe handling and storage – it's considered moderately flammable.

The refractive index, measured at 1.494, is an optical property that can be useful in identification and purity checks. While a specific melting point is not consistently reported in all references, this can sometimes indicate a broad melting range or that it remains stable in solid form over a wide temperature spectrum, which is beneficial for storage and transportation. The purity specification of ≥97% is a critical factor for its use as a pharmaceutical intermediate, ensuring minimal interference from impurities in downstream reactions.

The application of Methyl 3-(3-(trifluoromethyl)phenyl)acrylate is primarily as an intermediate in the synthesis of Cinacalcet hydrochloride and Cinacalcet. The presence of the trifluoromethyl group is a key structural feature that contributes to the pharmacological profile of the final drug. For R&D scientists evaluating potential synthetic routes, understanding these properties allows for precise reaction design and optimization.

For businesses looking to procure this intermediate, reliable manufacturers and suppliers, particularly those based in China, offer competitive pricing and consistent quality. When purchasing, always request detailed specifications and Certificates of Analysis to confirm that the product meets the required standards. Proper storage in a cool, dry, well-closed container, away from moisture and strong light/heat, is essential to maintain its integrity and purity over time.

In conclusion, the detailed properties of Methyl 3-(3-(trifluoromethyl)phenyl)acrylate, from its physical appearance to its chemical reactivity indicators, underscore its importance as a specialized chemical building block. These specifications are vital for its successful application in the demanding field of pharmaceutical synthesis, guiding both its use and procurement.

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