Tert-Butyl cyanoacetate, identified by its CAS number 1116-98-9, is a colorless liquid that serves as a vital component in numerous chemical synthesis processes. A thorough understanding of its chemical properties and appropriate handling procedures is essential for chemists to maximize its utility while ensuring safety in the laboratory. This article aims to provide a comprehensive overview of these aspects, drawing on information from leading chemical suppliers.

The chemical structure of tert-Butyl cyanoacetate (C7H11NO2) dictates its reactivity. Its molecular weight is approximately 141.17 g/mol. Key physical properties include a boiling point of around 40-42 °C at 0.1 mmHg and a density of approximately 0.988 g/mL at 20 °C. These parameters are crucial for chemists when designing reaction conditions, such as distillation or extraction processes. The substance is described as difficult to mix with water, indicating its hydrophobic nature, but it is generally miscible with many organic solvents, which facilitates its use in various reaction media. Researchers often inquire about the price of this compound to budget their experiments.

Safety and handling are paramount when working with any chemical, and tert-Butyl cyanoacetate is no exception. It is classified as a combustible liquid (Flash Point: 91°C / 195°F). Furthermore, it can be toxic if swallowed (GHS Hazard Statement: H301). Therefore, appropriate personal protective equipment (PPE) must be worn, including gloves, safety glasses, and lab coats. It should be stored in a cool, dry place, away from strong oxidizing agents, and containers should be kept tightly closed to maintain purity and prevent degradation. The storage temperature is typically recommended to be between 2-8°C.

The chemical industry, including manufacturers like NINGBO INNO PHARMCHEM CO.,LTD., places a strong emphasis on quality control to ensure the purity and consistency of tert-Butyl cyanoacetate. For instance, specifications often include identification by NMR, which must be consistent with the expected structure, and a purity level of at least 98% (often determined by NMR or GC). These rigorous standards are critical for its reliable performance in sensitive synthetic applications, such as the production of pharmaceutical intermediates or the synthesis of vinylogous urea.

The broader applicability of tert-Butyl cyanoacetate in organic synthesis stems from its ability to participate in various reactions, including condensations and alkylations. Its role as a precursor in the synthesis of vinylogous urea and its use in enhancing selectivity during nucleoside coupling highlight its importance in both academic research and industrial production. Understanding the detailed tert-butyl cyanoacetate chemical properties is key to unlocking its full synthetic potential. For those looking to buy this compound, ensuring it meets stringent purity requirements is essential.

In essence, a solid grasp of the chemical properties and safe handling practices for tert-Butyl cyanoacetate is fundamental for its effective and safe use in the laboratory. By adhering to recommended storage, handling, and purity standards, researchers can confidently utilize this versatile reagent to achieve their synthetic objectives.