For procurement specialists and R&D scientists in the chemical industry, a thorough understanding of a compound's chemical profile is fundamental. Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate, identified by its CAS number 89-33-8, is a fine chemical intermediate with significant industrial relevance. Delving into its molecular structure, key properties, and identification parameters is crucial for accurate sourcing and application.

Molecular Structure and Identification

Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate, often abbreviated as PCEP or referred to by synonyms such as 1-Phenyl-3-carbethoxy-5-pyrazolone, is characterized by its molecular formula C12H12N2O3. Its molecular weight is approximately 232.24 g/mol. The structure features a five-membered pyrazolone ring, which is a core heterocyclic moiety in many colorants and pharmaceuticals. This ring is substituted at the 1-position with a phenyl group and at the 3-position with an ethoxycarbonyl group (-COOEt). The presence of the carbonyl group at the 5-position within the pyrazolone ring contributes to its keto-enol tautomerism, a common characteristic of pyrazolones.

The CAS registry number 89-33-8 is the definitive identifier for this compound, ensuring clarity in international trade and research. Its EINECS (European Inventory of Existing Commercial Chemical Substances) number is 201-899-4, which is important for regulatory compliance within the European Union. When you plan to buy Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate, referencing these identifiers guarantees you are acquiring the precise chemical entity required for your processes.

Physical and Chemical Properties for Industrial Use

The typical appearance of high-quality Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate is a light brown powder. This physical form is advantageous for handling, storage, and subsequent reaction processes. The purity of the compound is a critical parameter for its industrial applications, with 99% being a common specification. High purity ensures predictable reaction outcomes, minimal by-product formation, and optimal performance in applications such as pigment synthesis.

Chemically, the compound’s reactivity stems from the active methylene group adjacent to the carbonyl and the potential for coupling reactions at various positions of the pyrazolone ring system, especially when activated. This makes it an excellent intermediate for forming azo compounds, which are the basis for a vast array of dyes and pigments. Its stability under typical storage conditions, when kept in a cool, dry place, further adds to its utility as a commercial chemical.

Sourcing and Quality Assurance

For businesses looking to purchase Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate, understanding these chemical characteristics is vital for selecting the right supplier. Manufacturers committed to quality will provide detailed Certificates of Analysis (CoA) that confirm the purity, CAS number, and other key specifications. Working with established manufacturers in regions like China, known for their advanced chemical synthesis capabilities, ensures access to reliable and consistently specified material. When you buy this fine chemical, confirming its chemical profile through vendor documentation is a critical step in ensuring successful integration into your production processes.

In essence, the chemical profile of Ethyl 5-oxo-1-phenyl-2-pyrazoline-3-carboxylate provides the essential blueprint for its industrial application. Its specific structure and properties, unequivocally identified by its CAS number, make it an indispensable intermediate for colorant chemistry and beyond.