In the intricate world of pharmaceutical manufacturing, understanding the precise chemical properties of intermediates is fundamental. For those involved in the production of Rilpivirine, a key antiretroviral medication, 4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile (CAS: 189956-45-4) stands out as an indispensable precursor. This article delves into the core chemical characteristics of this compound, highlighting its importance for pharmaceutical developers and manufacturers who seek reliable suppliers.

Chemical Identity and Structure

The compound is chemically known as 4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile. Its molecular formula is C11H8N4O, and it has a molecular weight of approximately 212.21 g/mol. This structure features a benzonitrile group attached via an amino linkage to a hydroxypyrimidine ring, a configuration that is crucial for its subsequent reactivity in the synthesis of Rilpivirine. While synonyms like 4-[(6-oxo-1H-pyrimidin-2-yl)amino]benzonitrile also refer to this same molecule, its CAS number (189956-45-4) provides a unique identifier essential for accurate sourcing and regulatory documentation.

Physical and Chemical Properties: What Manufacturers Need to Know

The physical appearance of 4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile is typically described as a white to yellow powder. More critical for industrial application are its specific physical and chemical properties:

• Assay Purity: Pharmaceutical applications demand high purity. This intermediate is generally supplied with an assay of ≥98.0%. This level of purity is vital to ensure the efficacy and safety of the final Rilpivirine API, minimizing potential impurities that could affect drug performance or stability.
• Density: With a density around 1.4±0.1 g/cm³, it is a relatively dense organic solid. This property is important for handling, storage, and process design.
• Boiling Point: The compound exhibits a high boiling point of approximately 482.3±51.0 °C at 760 mmHg. This indicates good thermal stability, suggesting it can withstand processing conditions common in organic synthesis without significant decomposition.
• Flash Point: A flash point of 245.5±30.4 °C underscores its relative stability in terms of flammability, an important safety consideration for laboratory and plant operations.

Significance in Pharmaceutical Synthesis

The primary utility of 4-[(4-Hydroxy-2-pyrimidinyl)amino]benzonitrile lies in its role as a key intermediate for Rilpivirine. Its specific chemical structure allows it to participate in critical bond-forming reactions that construct the complex molecular architecture of this antiretroviral drug. Manufacturers producing this intermediate must adhere to strict quality control measures to ensure batch-to-batch consistency, a non-negotiable requirement in the pharmaceutical industry. For those looking to buy this compound, understanding these properties helps in evaluating potential suppliers and ensuring the material procured is fit for purpose.

For companies seeking a reliable supplier of high-quality pharmaceutical intermediates, understanding the detailed specifications and chemical properties of products like CAS 189956-45-4 is the first step towards a successful procurement strategy.