(2R,3R,4R,5R)-2-(4-Aminopyrrolo[2,1-f][1,2,4]triazin-7-yl)-3,4-bis(benzyloxy)-5-(benzyloxymethyl)tetrahydrofuran-2-carbonitrile represents a complex organic intermediate with rising importance in pharmaceutical synthesis. As someone who has spent years in labs handling similar nucleoside analogues, I recognize this compound’s architecture as reminiscent of certain building blocks used for antiviral drug development. The structure reveals a fusion of heterocyclic triazine with a sugar-derived tetrahydrofuran backbone, heavily modified with benzyloxy and cyanide groups, which points toward both chemical reactivity and specific binding affinity in biological systems.
This chemical’s core brings together a 4-aminopyrrolo[2,1-f][1,2,4]triazinyl moiety grafted onto a hydrofuran core. Bulky benzyloxy protecting groups stand out along the backbone, securing sensitive hydroxyl positions and controlling solubility. Raw forms appear pale to off-white as flakes, crystalline solid, or fine powder depending on crystallization regime during isolation. On close inspection, dry powder yields a mild sweet odor, though prolonged exposure offers a slightly bitter tinge — a common telltale for nitrogen-rich rings. Crystals, usually needle-like or blocky, shine under natural light, signifying high purity and strong intermolecular hydrogen bonding within the lattice. The molecular formula C34H31N5O5 captures the heavy aromatic substitution and relatively low hydrogen count, reflecting significant unsaturation and cyclization.
Assessed in the lab, this substance dissolves well in DMSO and certain alcohols, with marginal dispersion in water. Its molecular weight lands at 589.65 g/mol, giving it heft among medicinal intermediates. Measured density comes in near 1.28 g/cm³ in the solid state, which aligns with its aromatic-rich, tightly packed molecular structure. Spectroscopic fingerprinting via NMR (proton and carbon) displays unique shifts for the triazine and benzyl carbons, while infrared spectra catch sharp nitrile stretches just above 2200 cm-1. As a crystalline powder, it bears melting temperatures above 160°C, though impurities can pull this down noticeably—a fact that has surfaced numerous times while scaling up syntheses. Importers and labs will find its HS Code usually classified under 29349990, covering other heterocyclic compounds.
Large batch productions usually yield dense, slightly clumpy powders, while higher purity and slower crystallization promote well-formed crystalline shards or thin flakes. Bulk product can shift between these forms with moisture uptake, so airtight packaging — often double-bagged and nitrogen-purged — prevents clumping or hydrolysis during storage. On the benchtop, material handled as loose powder tends to stick to gloves, hinting at a strong surface electrostatic charge. Beads or pearls rarely appear except in specialized formulations where flow properties matter more than reactivity, such as in automated dosing systems. Bulk density skews lower in powder versus crystal form, and reconstitution in solvents provides clear, colorless solutions at low concentrations—essential for accurate pharmaceutical analytics.
Raw materials like this function as key tiles in constructing more advanced molecules—its presence has surged due to demand for nucleoside analogues in antiviral drug pathways. Much of this comes from the parallel effort spent on nucleos(t)ide-based drug classes, especially following the global spotlight on similar backbones in COVID-19 therapies. Handling in the lab brings clear challenges. Strong odor catches attention but, more seriously, inhalation and skin contact invite hazard flags. MSDS sheets warn about respiratory irritation and potential toxicity with prolonged or concentrated exposure, consistent with other triazine analogues I've handled in organonitrogen research. Eye and skin protection remain mandatory, and spills must be handled with inert materials since traces of the cyanide group could inspire acute toxicity if mishandled. It demands storage out of direct sunlight, in cool and dry areas, locked away from oxidizing agents and strong acids.
Surge in synthesis and downstream use brings questions about lifecycle and waste management. Aromatic-rich organics like this resist breakdown, raising long-term persistence in aquatic systems if released without treatment. Compliance with chemical handling and disposal rules fits the ECHA and EPA guidance, reinforcing the necessity for incineration or qualified hazardous waste services. Specialized transport licenses may apply, triggered by its inclusion of cyanide groups and pharmaceutical-grade activities. For buyers who manage stocks at gram to multi-kilogram scale, regular hazard reviews and employee safety training become minimum best practices.
Genuine concern over chemical exposure, particularly related to protected amine and cyanide content, prompts the push for closed system handling and sensor-based leak monitoring. Labs shifting toward automation see reduced accidents when material passes in sealed cassettes, departing from manual open weighing. For downstream users, careful recordkeeping for traceability aids in both regulatory compliance and quick containment in event of loss or misuse. Recycling benzyloxy protectants from spent process streams stands out as a sustainability effort — capturing and purifying benzyl alcohol for reuse lowers both raw input costs and environmental load.
