1-Bromobut-2-yne for Triazole Antifungals: Trace Purity
Technical Specifications and Purity Grades of 1-Bromobut-2-yne for Triazole Synthesis
In the synthesis of triazole antifungal agents, the selection of a reliable organic building block such as 1-Bromobut-2-yne (CAS 3355-28-0) is critical. This compound, also referred to as 2-Butynyl Bromide or But-2-ynyl Bromide, serves as a key pharma intermediate in constructing the triazole ring system found in drugs like fluconazole, itraconazole, and second-generation agents such as voriconazole. The industrial purity of this reagent directly influences reaction yields and the impurity profile of the final active pharmaceutical ingredient (API). At NINGBO INNO PHARMCHEM CO.,LTD., we supply 1-Bromobut-2-yne in multiple grades tailored to different synthesis routes, ensuring that procurement managers can match the specification to their process requirements without overpaying for unnecessary purity.
Our standard offering includes a technical grade (≥97% GC) suitable for early-stage intermediates, and a high-purity grade (≥99% GC) for critical coupling steps where trace impurities could compromise catalyst activity or lead to difficult-to-remove byproducts. The table below summarizes the typical specifications available. Please refer to the batch-specific COA for exact values, as minor variations may occur due to manufacturing process adjustments.
| Parameter | Technical Grade | High-Purity Grade |
|---|---|---|
| Assay (GC) | ≥97.0% | ≥99.0% |
| Appearance | Clear, colorless to pale yellow liquid | Clear, colorless liquid |
| Water (KF) | ≤0.1% | ≤0.05% |
| Isomeric Impurities | ≤2.0% | ≤0.5% |
| Non-Volatile Residue | ≤0.01% | ≤0.005% |
One non-standard parameter that experienced process chemists monitor is the color stability of 1-Bromobut-2-yne under storage. Even high-purity batches can develop a slight yellow tint over time due to trace dehydrohalogenation or oxidation, which does not necessarily indicate a significant drop in assay but can be a concern for UV-sensitive downstream reactions. Our field experience shows that storing the material under nitrogen at 2–8°C minimizes this effect, and we recommend that users establish internal color benchmarks (e.g., APHA ≤50) if visual appearance is critical for their process.
Critical COA Parameters and Trace Impurity Profiles in 1-Bromobut-2-yne
When sourcing 1-Bromobut-2-yne as a chemical reagent for triazole antifungal intermediates, procurement teams must look beyond the assay number. The certificate of analysis (COA) reveals the trace impurity profile that can make or break a synthesis route. Key impurities include the isomeric 4-Bromobut-2-yne (also known as 1-Bromanylbut-2-yne) and the over-brominated byproduct 1,4-dibromobut-2-yne. The former can participate in competing reactions, while the latter may act as a crosslinking agent, leading to dimeric impurities that are difficult to purge in the final API.
Our manufacturing process is optimized to keep the 4-Bromobut-2-yne content below 0.5% in the high-purity grade, as verified by GC-MS. This is particularly important for triazole syntheses that involve copper-catalyzed azide-alkyne cycloaddition (CuAAC), where the alkyne moiety must be terminal. Any contamination with the internal alkyne isomer can reduce regioselectivity and yield. Additionally, we monitor for residual solvents (typically MTBE or THF) and heavy metals (Pd, Cu) that may originate from the synthesis route. For customers requiring an even tighter specification, we offer a custom purification service; please inquire with our technical team.
In the context of triazole antifungal production, the presence of trace water is another critical factor. 1-Bromobut-2-yne is moisture-sensitive and can hydrolyze to form 2-butyn-1-ol, which not only reduces assay but also introduces a reactive alcohol that can interfere with subsequent acylation or alkylation steps. Our packaging under inert atmosphere and use of molecular sieves in bulk containers ensures that water content remains below the specified limit throughout the supply chain. For a deeper understanding of how we maintain quality during logistics, see our article on winter transit handling of 1-Bromobut-2-yne.
Industrial Handling, Stability, and Bulk Packaging Solutions for 1-Bromobut-2-yne
1-Bromobut-2-yne is a lachrymator and a flammable liquid (flash point ~38°C), requiring careful handling in an industrial setting. It is typically stored in a cool, dry, well-ventilated area away from ignition sources. The compound is stable under recommended conditions but can decompose exothermically if exposed to strong bases or high temperatures. From a logistics perspective, we supply this organic building block in a range of packaging options to suit different scales of operation: 1L, 5L, and 25L HDPE bottles for R&D and pilot quantities; 210L steel drums with PTFE-lined closures for commercial production; and 1000L IBC totes for large-volume consumers. All containers are nitrogen-flushed to maintain product integrity during transit.
One field-observed behavior that is not typically documented in standard safety data sheets is the tendency of 1-Bromobut-2-yne to undergo a slight viscosity increase when stored at sub-zero temperatures. While the freezing point is below -20°C, the liquid can become noticeably more viscous in cold warehouses, which may affect pumping and metering in automated synthesis lines. We advise customers in colder climates to specify insulated or heated drum jackets if the material will be used directly from storage without pre-warming. This practical insight comes from years of supporting global manufacturers in regions with harsh winters.
For those evaluating 1-Bromobut-2-yne as a drop-in replacement for other suppliers' material, our product is designed to match the key physical and chemical properties of leading brands, ensuring seamless integration into existing processes. We have detailed this in our article on bulk sourcing as a drop-in replacement for TCI B2190.
Supply Chain Reliability and Cost-Efficiency as a Drop-in Replacement for Triazole Intermediates
In the competitive landscape of triazole antifungal manufacturing, supply chain disruptions can halt production of life-saving medications. NINGBO INNO PHARMCHEM CO.,LTD. has established a robust manufacturing process for 1-Bromobut-2-yne that ensures consistent quality and availability. Our production capacity is scaled to meet both spot and contract demands, with typical lead times of 2–4 weeks for bulk orders. By maintaining strategic inventories of key raw materials and intermediates, we mitigate the risk of shortages that can arise from geopolitical or logistical challenges.
As a global manufacturer, we offer competitive bulk pricing without compromising on quality. Our 1-Bromobut-2-yne is positioned as a cost-effective alternative to major catalog brands, providing identical technical parameters and performance. This allows procurement managers to reduce their cost of goods sold (COGS) while maintaining the same synthesis route and regulatory filings. We understand that changing a critical intermediate supplier requires confidence; therefore, we provide comprehensive analytical data, including NMR, GC-MS, and impurity profiles, to facilitate qualification. Our technical team is available to support method transfer and address any process-specific concerns.
The triazole antifungal market continues to grow, driven by the need for effective treatments against resistant fungal strains. As a key intermediate, 1-Bromobut-2-yne is essential for the synthesis of both established and next-generation azole drugs. By partnering with a reliable supplier like NINGBO INNO PHARMCHEM, pharmaceutical companies can secure their supply chain and focus on delivering high-quality APIs to patients worldwide. For more information on the role of this building block in advanced synthesis routes, explore our knowledge base or contact us directly.
Frequently Asked Questions
What is the minimum order quantity (MOQ) for 1-Bromobut-2-yne?
Our standard MOQ is 1 kg for high-purity grade and 5 kg for technical grade. However, we can accommodate smaller sample quantities for initial evaluation. Please contact our sales team for a tailored quotation based on your annual volume requirements.
Do you provide custom synthesis or additional purification of 1-Bromobut-2-yne?
Yes, we offer custom purification services to meet specific impurity limits, such as reducing the 4-Bromobut-2-yne isomer below 0.1% or achieving water content below 0.01%. We can also synthesize derivatives or related building blocks upon request.
How do you ensure batch-to-batch consistency for triazole synthesis?
Each batch is manufactured under strict process controls and analyzed using validated GC and GC-MS methods. We maintain a retained sample library for at least three years, allowing us to investigate any quality concerns. Our statistical process control (SPC) data demonstrates high reproducibility in assay and impurity profiles.
What are the payment terms and shipping options for international orders?
We typically operate on a T/T (telegraphic transfer) basis with 30% advance and 70% against shipping documents. For established partners, we can offer net 30-day terms. We ship via air freight (for small parcels) or sea freight (for bulk drums/IBCs) using validated dangerous goods packaging. All shipments comply with IMDG and IATA regulations.
Can you provide a sample for compatibility testing with our process?
Absolutely. We encourage customers to request a small sample (typically 50–100 mL) to verify compatibility with their specific reaction conditions and quality systems. Samples are provided free of charge; the customer covers shipping costs.
Sourcing and Technical Support
In summary, 1-Bromobut-2-yne is a versatile and indispensable intermediate for the synthesis of triazole antifungal agents. Its role as a chemical reagent in constructing the triazole core demands high purity, consistent quality, and reliable supply. NINGBO INNO PHARMCHEM CO.,LTD. is committed to providing this critical organic building block with the technical support and logistical flexibility that modern pharmaceutical manufacturing requires. Whether you are scaling up from R&D to pilot production or optimizing an existing commercial process, our team is ready to assist with product selection, custom specifications, and supply chain planning. To request a batch-specific COA, SDS, or secure a bulk pricing quote, please contact our technical sales team.