Industrial Purity Specifications For 10,11-Dihydro-11-Oxodibenzo[B,F][1,4]Thiazepine
- Assay Precision: Industrial batches typically maintain ≥98.5% purity via HPLC analysis.
- Critical Parameters: Melting point verification at 265 °C ensures structural integrity.
- Supply Chain: GMP-compliant documentation and bulk scalability for API synthesis.
In the pharmaceutical manufacturing sector, the consistency of key intermediates dictates the quality of the final Active Pharmaceutical Ingredient (API). 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine (CAS 3159-07-7) serves as a critical scaffold in the production of Quetiapine, a widely prescribed atypical antipsychotic. For process chemists and procurement managers, understanding the industrial purity specifications of this heterocyclic compound is essential for maintaining regulatory compliance and reaction efficiency.
This technical overview details the analytical standards, synthesis considerations, and quality assurance protocols required for sourcing this material at scale. As a premier global manufacturer, adherence to these specifications ensures downstream synthesis proceeds without unexpected impurity profiles.
Defining Industrial-Grade Purity Standards
When evaluating industrial purity for CAS 3159-07-7, the assay value is the primary metric. Commercial-grade batches intended for API synthesis generally require a minimum assay of 98.0%, with premium grades reaching 99.0% or higher. However, purity is not solely defined by the main peak area in chromatography; it also encompasses the profile of related substances.
Key impurities often arise from incomplete cyclization or oxidation during the manufacturing process. Specifications must limit specific unknown impurities to below 0.10% and total impurities to less than 1.0%. The physical appearance should be a white to off-white solid. Deviations in color can indicate thermal degradation or the presence of colored by-products, which may be difficult to remove in later purification steps.
For buyers evaluating bulk price structures, it is vital to correlate cost with these purity tiers. Lower-priced materials often carry higher impurity loads, which can increase overall processing costs due to additional recrystallization steps required to meet API standards.
Analytical Methods for Verifying Batch Consistency
Robust quality control relies on orthogonal analytical methods to confirm identity and potency. The following techniques are standard for verifying 10,11-Dihydro-11-oxo dibenzo-1,4-thiazepine specifications:
- High-Performance Liquid Chromatography (HPLC): Used for assay determination and impurity profiling. A reverse-phase C18 column with UV detection is typically employed.
- Gas Chromatography (GC): Utilized to detect residual solvents such as DMF, ethanol, or toluene remaining from the synthesis.
- Nuclear Magnetic Resonance (NMR): Proton (1H) and Carbon (13C) NMR spectra confirm the structural integrity of the dibenzothiazepine ring system.
- Melting Point Analysis: The literature melting point is approximately 265 °C. A sharp melting range indicates high crystallinity and purity.
Every batch supplied by NINGBO INNO PHARMCHEM CO.,LTD. undergoes rigorous testing using these methods. The data is compiled into a Certificate of Analysis (COA), which is a mandatory document for GMP compliance. The COA provides traceability and confirms that the material meets the agreed-upon specifications before shipment.
Technical Specifications Table
The following table outlines the critical physical and chemical properties expected in a high-quality industrial batch.
| Property | Specification |
|---|---|
| Product Name | 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine |
| CAS Number | 3159-07-7 |
| Molecular Formula | C13H9NOS |
| Molecular Weight | 227.28 g/mol |
| Appearance | White to Off-White Solid |
| Melting Point | 265 °C |
| Assay (HPLC) | ≥ 98.5% |
| Storage Conditions | Keep in dark place, Sealed in dry, 2-8°C |
Synthesis Route and Manufacturing Considerations
The synthesis route for this compound typically involves the cyclization of appropriate precursors to form the dibenzothiazepine core. Efficiency in this step is measured by yield and the minimization of side reactions. Alternative synonyms such as Dibenzo[b,f][1,4]thiazepin-11(10H)-one are often used in literature to describe the same chemical entity.
Industrial scale-up requires careful control of reaction temperature and stoichiometry to prevent the formation of sulfur-containing by-products. Oxidation states must be managed precisely to ensure the ketone functionality at the 11-position remains intact. Manufacturers must also validate that the process removes heavy metals and residual catalysts to levels acceptable for pharmaceutical intermediates.
When sourcing high-purity 10,11-Dihydro-11-oxodibenzo[b,f][1,4]thiazepine, buyers should request sample batches for pilot plant testing. This validates compatibility with existing downstream processes before committing to large-scale procurement.
Role of COA and QC Documentation in GMP Compliance
Regulatory agencies require comprehensive documentation for all API intermediates. The Certificate of Analysis is not merely a formality; it is a legal declaration of quality. It must include batch numbers, manufacturing dates, expiry dates, and test results against specified methods.
For international shipments, additional documentation such as Material Safety Data Sheets (MSDS) and statements of compliance with REACH or TSCA regulations may be required. NINGBO INNO PHARMCHEM CO.,LTD. ensures all documentation is accurate and readily available to facilitate smooth customs clearance and quality assurance audits.
Procurement and Supply Chain Stability
Securing a reliable supply chain for critical intermediates is vital for uninterrupted API production. Factors influencing supply include raw material availability, environmental regulations affecting production sites, and logistics capacity. A stable global manufacturer will maintain safety stock and offer flexible packaging options, ranging from kilograms for R&D to tons for commercial production.
By prioritizing technical specifications and verified quality documentation, pharmaceutical companies can mitigate the risk of batch failures. Investing in high-specification intermediates ultimately reduces the total cost of ownership by minimizing rework and ensuring consistent final product quality.