For professionals engaged in chemical synthesis, particularly in the pharmaceutical and advanced materials sectors, a deep understanding of a compound's physicochemical properties is fundamental. These properties dictate how a substance behaves in reactions, its stability, and how it should be handled and stored. Today, we focus on 4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine (CAS: 956025-83-5), a versatile pharmaceutical intermediate, and explore its key characteristics relevant to purchasers and researchers.

Core Identification: CAS Number and Molecular Formula
The definitive identifier for this compound is its CAS Registry Number: 956025-83-5. This unique numerical tag ensures that researchers are referring to the exact chemical entity. Its molecular formula is C17H21N5, which translates to a molecular weight of approximately 295.4 g/mol. This information is crucial for stoichiometric calculations in synthesis and for determining molar concentrations in solutions.

Physical Appearance and State
As supplied by reputable manufacturers, 4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine typically presents as a White Solid. This solid form is advantageous for handling and storage, as it is generally less prone to degradation from ambient conditions compared to liquids or volatile substances. The crystalline nature often implies a certain degree of order within the molecular structure.

Key Thermal and Density Properties
Understanding the thermal behavior of a compound is vital for process development and safety. For this intermediate, key thermal properties include:

  • Melting Point: 136-138°C. This relatively sharp melting point range is indicative of a pure crystalline substance. It also provides a critical parameter for identifying the compound and assessing its purity. Reactions involving this intermediate should ideally be conducted at temperatures well below its melting point, unless melting is a desired step in a specific process.
  • Boiling Point: 475.5±40.0 °C. The high boiling point suggests that the compound is non-volatile under typical laboratory conditions. This property is important for distillation or other high-temperature purification methods, though its thermal stability at such high temperatures should also be considered.
  • Density: 1.20±0.1 g/cm³. Density is a useful parameter for volumetric measurements and understanding material handling.

Other Important Characteristics
While specific solubility data might vary slightly between suppliers and batches, it's common for such organic molecules to exhibit solubility in common organic solvents like DMSO and DMF, which are frequently used in R&D. The pKa value of 4.52±0.30 indicates its acidic/basic nature, which can be relevant for reactions involving acid-base catalysis or for formulating it into different salt forms.

Storage Recommendations
Based on its properties, standard storage recommendations for 4-Amino-1-tert-butyl-3-(3-methylbenzyl)pyrazolo[3,4-d]pyrimidine include storing it at -20°C Freezer temperatures. This low-temperature storage helps maintain its purity and stability over extended periods, a critical factor for purchasers who may not use the entire quantity immediately.

When sourcing this intermediate, always refer to the supplier's Certificate of Analysis (CoA) for lot-specific details on these physicochemical properties. This ensures you have the most accurate information for your synthesis and research needs.