D7-tert-Butyl (4R-cis)-6-formyl-2,2-dimethyl-1,3-dioxane-4-acetate: Detailed Overview

What Is D7-tert-Butyl (4R-cis)-6-formyl-2,2-dimethyl-1,3-dioxane-4-acetate?

D7-tert-Butyl (4R-cis)-6-formyl-2,2-dimethyl-1,3-dioxane-4-acetate turns up in advanced chemical synthesis, with chemists taking note of its unique dioxane skeleton and heavy deuteration profile. That compound name might look intimidating, yet behind it sits a reliable building block in pharmaceutical and fine chemical development. The formaldehyde group attached to the dioxane ring allows for further modifications, and the tert-butyl and dimethyl features lend it added stability, even during elevated temperature reactions. Most labs looking for products like this want both purity and repeatability. You see requests for it in early-stage drug discovery, and over the years, more specialty suppliers have recognized its role in moving innovative chemistry forward.

Product Structure and Molecular Details

This molecule has a six-membered ring, the dioxane, substituted with formyl, two methyl groups, and a characteristic tert-butyl acetate moiety. Deuterium substitution (D7) marks out this compound from its undeuterated cousin, helping kinetic isotope effect studies or metabolic tracing, crucial in preclinical evaluation. Its molecular formula lands at C13H20D7O5. Lab users sometimes narrow down on structure before anything else, ensuring their order matches stereospecific (4R-cis) arrangements and labeling purity. The molecular weight stands around 271–279 g/mol, but accurate measurement depends on the level of isotopic enrichment supplied, which strict labs monitor batch by batch.

Physical Properties and Handling

Real world characteristics come up quick: white flaky solids or fine crystalline powder dominate most shipments. Density checks reach around 1.25–1.35 g/cm³, though measured batches might read higher or lower based on residual solvent or particle size variation between lots. Melting point falls between 62°C and 72°C. In practice, it handles well under nitrogen atmosphere and stores cold for shelf-life, but if left open, the formyl can pick up moisture, and the dioxane can suffer from hydrolysis over time. Dissolving it in common solvents like dichloromethane, ethyl acetate, or methanol brings up good clarity, and its non-hygroscopic nature helps protect the material against caking. Many chemists note how hard it can be to handle similar compounds in humid climates, making attention to real-world density, texture, and crystallinity more important than any single-line manufacturer claim.

Specifications and Analytical Profile

Batch certificates matter, showing D/H ratio (not less than 98% D when marketed as a labeled reagent), with HPLC purity usually greater than 98%. Sometimes, a request comes in for NMR or mass spec reports to confirm isotopic labeling and functional group consistency. Any deviation in stereochemistry knocks off yield in downstream syntheses, so strict chiral purity standards come to the fore. Reputable suppliers release material with solid IR, NMR, and LC/MS data attached—those reports help avoid months of surprise troubleshooting. In day-to-day practice, chemists run additional checks for residual acids, ester content, and moisture, since even small impurities can compromise scale-up.

HS Code, Transportation, and Regulatory Status

Trade and customs often run into questions about material categorization. The relevant HS Code falls under organic chemical intermediates, typically 2932.99 or 2912.29 depending on jurisdiction specifics. Some places ask about import licenses, especially in Europe or Japan, and labeling requirements for deuterated compounds often go beyond standard handling declarations. Shipping as a solid makes it less regulated than liquid chemicals, but MSDS sheets should flag it for safety as a lab reagent, not a consumer material. When choosing transportation routes, temperature swings can degrade formyl functionalized intermediates, so shipping in insulated packaging helps cut down on product loss.

Material Safety, Handling Hazards, and Environmental Considerations

Lab professionals know: even pure, odorless solids deserve respect. Those sourcing D7-tert-butyl (4R-cis)-6-formyl-2,2-dimethyl-1,3-dioxane-4-acetate watch for the hazards flagged by the formyl and ester components. Contact with skin or eyes might cause mild irritation, and inhalation of fine powders over repeated exposures could bring respiratory discomfort. Not classified as acutely toxic or carcinogenic, yet showing enough chemical reactivity to warrant gloves, goggles, and lab coats on the bench. Disposal standards steer clear of pouring to drain: incineration with other laboratory residues ensures both environmental and legal compliance. Suppliers warn against large-scale releases; though it degrades in the environment, persistence of dioxane-related fragments can show up in poorly managed sites, and those fragments resist breakdown in soil and water. Handling in closed systems, with exhaust to chemical fume hoods, removes most concern.

Role in Chemical Synthesis and as a Raw Material

The accuracy of labeled raw materials like this counts for a lot in research. Deuterated dioxane esters play an unsung role in probing enzymatic pathways, particularly where isotope tracing unlocks metabolic secrets or separates substrate from product with extreme precision. That’s how pharmaceutical scientists tweak drug candidates safely. Its stability as a crystal or powder translates into fewer losses during transfer, a detail that matters on scale when budgets run tight. Material like this, used as an intermediate, enables functional group transformations—introducing new reactivity while holding the ring intact. Sourcing poor-quality product, on the other hand, sets off a domino effect—delayed test results, off-spec active pharmaceuticals, money down the drain. So, specialists push for suppliers who publish specifications out in the open, offering solutions with full traceability.

Conclusion: Challenges and Solutions in the Real World

Quality raw materials set the foundation for reliable research and commercial-scale manufacturing. D7-tert-butyl (4R-cis)-6-formyl-2,2-dimethyl-1,3-dioxane-4-acetate, with its distinct physical and chemical features, illustrates what makes one intermediate stand out from another. Strong quality practices, honest supplier documentation, and a commitment to user safety all show up in the details—from density and melting point, to isotopic enrichment, to regulatory paperwork. Keeping up with evolving lab requirements and regional import rules helps avoid costly interruptions. Facilities who work with this compound invest in steady handling routines, update procedures on hazardous management, and press for transparent supply chains, making sure their investments result in clear, clinically relevant outcomes.