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Technical Dossier, cGMP Compliance, Structural Specifications & Scaled Chemical Intermediate Supply Chain Solutions for Global Contract Research & Commercial Drug Development.

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Chemical Engineering Monograph

CAS 40064-34-4: Structural Specification & Physicochemical Dossier

Known systematically as tert-Butyl 4-oxopiperidine-1-carboxylate (or 1-Boc-4-piperidone), CAS 40064-34-4 represents an indispensable monocyclic building block in cutting-edge pharmaceutical synthesis, medicinal lead discovery, and heterocyclic ligand manufacturing.

≥99.2%
Standard HPLC Purity
199.25
Molecular Weight (g/mol)
<0.5%
Moisture (Karl Fischer)
50 MT+
Annual Continuous Capacity
Analytical Parameter Monograph Compendial Standard Factory In-House QC Limits (Lot Release) Testing Methodology
Chemical Name tert-Butyl 4-oxopiperidine-1-carboxylate 1-Boc-4-piperidone / N-Boc-4-piperidone IUPAC Standard Naming
CAS Registry Number 40064-34-4 Validated Chemical Structure Identity CAS Registered Database
Molecular Formula / Weight C10H17NO3 199.25 g/mol (Monoisotopic: 199.1208) High-Resolution MS (HRMS)
Physical Appearance White to off-white crystalline solid / powder Conforms to reference physical standard Visual / Automated Colorimeter
Melting Point Range 73.0 °C to 77.0 °C 74.2 °C – 76.5 °C sharp transition Capillary Melting Method (USP <741>)
Assay Purity (Area %) ≥98.5% ≥99.0% - 99.8% (Target Release) HPLC-UV / GC-FID normalization
Residual Solvents Meets ICH Q3C Guidelines Methanol <500ppm, Ethyl Acetate <800ppm Headspace Gas Chromatography (GC-HS)
Heavy Metals Contamination <10 ppm total Pb <2ppm, As <1ppm, Cd <0.5ppm, Hg <0.1ppm Inductively Coupled Plasma (ICP-MS)

NMR Structural Fingerprinting

Every commercial batch produced within our Hebei facility undergoes complete 1H-NMR and 13C-NMR characterization. Singlet resonances for the nine tert-butoxy protons at δ ~1.48 ppm and characteristic piperidone methylene triplets are precisely benchmarked to ensure no ring-opened degradation or deprotection impurities.

Thermochemical Stability

The tert-butoxycarbonyl (Boc) carbamate group delivers optimal acid-labile protection while resisting neutral hydrolysis and mild nucleophilic attack. Thermal degradation profiles under non-isothermal TGA show thermal integrity sustained beyond 140 °C, facilitating secure transcontinental shipping under dry, temperate controls.

Strict Impurity Profiling

Secondary amine residues such as piperidin-4-one hydrochloride can catalyze side-chain polycondensation during API functionalization. Our dual-phase solvent extraction and automated recrystallization cascades suppress unreacted secondary amines to <0.05%, preventing pipeline contamination.

Industrial Upstream Superiority

China Factory Direct Supply: Resilient Sourcing & Cost Engineering

Global pharmaceutical sourcing directors choose our direct manufacturing ecosystem not merely on unit cost, but to eliminate multi-tiered distributor markup, eliminate shipment stockouts, and leverage unmatched raw material integration.

Fully Integrated Feedstock Economics

Our synthesis network controls key base raw materials—including di-tert-butyl dicarbonate (Boc anhydride) and 4-piperidone salts—directly from regional basic chemical clusters in Northern and Eastern China. By insulating our operational throughput from external merchant market fluctuations, we provide long-term contract pricing stability (12 to 36 months) for enterprise procurement programs, shielding commercial pipelines from volatile speculative chemical traders.

Continuous Flow Multi-Ton Synthesis

Moving beyond classical batch stirred reactors that suffer from local hot-spot degradation and variable product coloration, our manufacturing sites employ automated micro-channel continuous flow reactors. Continuous acylation and solvent exchange ensure complete reaction kinetics under precise isothermal monitoring. This modern continuous manufacturing infrastructure yields uniform crystals, zero batch stratification, and an immediate scale-up potential exceeding 5,000 kilograms per month.

Rigorous EHS & Green Chemistry

Located in an officially licensed Provincial Chemical Industrial Park with closed-loop VOC recovery and high-efficiency wastewater treatment plants, our facilities operate under continuous environmental safety oversight, avoiding regulatory shutdown risks common with uncertified workshops.

Integrated Pilot-to-Commercialization

From 100-gram R&D trial samples to multi-metric-ton bulk containers, we ensure zero process discrepancy. Synthetic routes, crystallization matrices, and filtration parameters remain identical across all volumes, minimizing analytical re-validation costs for our global partners.

Rapid Dispatch & Pre-Stocked Buffers

We maintain an active, quality-released strategic buffer inventory of 5,000 kg to 10,000 kg of CAS 40064-34-4 at our climate-controlled logistics hubs in Shijiazhuang, Shanghai, and Guangzhou, enabling expedited same-week shipment upon proforma confirmation.

Quality Assurance Systems

Enterprise Procurement Demands & Release Documentation

Industrial B2B chemical acquisition requires exhaustive traceability, validated analytical controls, and uncompromising compliance with Good Manufacturing Practice (GMP) intermediate guidance.

Complete Regulatory Dossiers

Every commercial delivery is backed by a fully traceable batch Certificate of Analysis (COA), high-resolution HPLC chromatograms with UV integration tables, Liquid Chromatography-Mass Spectrometry (LC-MS) data verifying molecular mass, and Infrared (FT-IR) comparative spectrum confirmation.

USP <467> Residual Solvent Monitoring

Downstream pharmaceutical and API synthesis requires exact quantification of Class 2 and Class 3 residual solvents. Our static headspace gas chromatography assays ensure total volatile residuals remain well below international compendial thresholds, ensuring your final formulated product avoids toxicological concerns.

Audit-Ready Supplier Governance

We welcome third-party quality audits (such as SGS, Intertek, or customer QA representatives) and facilitate remote virtual plant inspections. Our Quality Management System (QMS) aligns with ICH Q7 directives for active pharmaceutical ingredients and key intermediates, guaranteeing ironclad data integrity.

Tamper-Proof Pharmaceutical Packaging

Standard industrial packaging utilizes double anti-static food/pharma grade polyethylene bags sealed with tamper-evident serial bands, enclosed inside airtight nitrogen-flushed aluminum foil barrier envelopes, and protected within heavy-duty fiber drums (25 kg net weight) certified for UN hazardous and general transport.

Seamless Global Customs & Clearance

Localized Support & Cross-Border Compliance Assurance

Cross-border chemical procurement demands meticulous documentation, strict alignment with customs tariff classifications, and proactive hazardous/non-hazardous chemical declarations.

REACH, TSCA & GHS SDS Dossiers

We supply 16-section compliant Safety Data Sheets (SDS) formulated in compliance with OSHA GHS (USA), CLP Regulation (EC No 1272/2008), and national chemical regulatory frameworks in over 12 languages. Dedicated regulatory specialists support pre-registration and tonnage declarations for importers throughout Europe, the UK, North America, and APAC.

Accurate HS Code Harmonization

Misclassification creates customs holds and substantial demurrage penalties. We declare CAS 40064-34-4 under standard Harmonized Tariff Schedule (HTS) Code 2933.39.90.90 (Heterocyclic compounds with nitrogen hetero-atom only, containing an unfused pyridine ring). Proper non-controlled chemical certifications eliminate customs delays.

DDP, CIF & Multimodal Freight

Whether you require express sample dispatch via air courier (FedEx, DHL), temperature-regulated air cargo, or ocean shipping (FCL/LCL) to Rotterdam, Hamburg, Los Angeles, Singapore, or Busan, our export specialists manage end-to-end bill of lading, customs brokerage, and door-to-door delivery with live tracking.

Medicinal Chemistry Horizon

Synthetic Utility, Downstream Applications & Market Trends

CAS 40064-34-4 acts as an essential functionalized heterocyclic scaffold across multiple therapeutic classes, from neuropharmacology to oncology.

Key Synthetic Transformations & Reaction Vectors

The electrophilic ketone core at position 4 enables rapid, high-yield molecular diversification:

  • Reductive Amination: Coupling with primary or secondary aliphatic or aromatic amines in the presence of NaBH(OAc)3 or NaBH3CN to synthesize 4-aminopiperidine pharmacophores.
  • Wittig & Horner-Wadsworth-Emmons Olefination: Constructing exocyclic double bonds for advanced spirocyclic and fused ring building blocks.
  • Grignard & Organolithium Additions: Facilitating nucleophilic carbon additions to generate tertiary alcohols at the 4-position, common in central nervous system (CNS) active targets.
  • Strecker Reaction: Synthesis of α-amino nitrile intermediates leading directly to novel 4-substituted piperidine carboxylic acids.

Industry Market Trajectory & Sustainable Manufacturing

The global demand for functionalized piperidines is projected to grow at an annual CAGR exceeding 6.8% through 2032, driven by new kinase inhibitors, GLP-1 companion therapeutics, and targeted oncology programs.

Emerging Industry Trends:

  • Biocatalytic Reductions: Developing stereoselective transaminase and ketoreductase pathways to minimize transition metal catalysts.
  • Solvent Recovery Schemes: Commercial plants implementing closed-loop distillation to recycle >92% of organic reaction solvents.
  • Strict Genotoxic Impurity Limits: Increasing scrutiny by the EMA and FDA regarding potential trace carbamate degradation pathways, making our ultra-low impurity crystalline product the preferred grade.
Implementation Architecture

Localized Application Scenarios: From Discovery to Commercial CDMO Scaling

Whether your scientific teams operate within early-stage screening incubators or run high-throughput commercial production lines, our CAS 40064-34-4 accommodates exact scale-specific specifications.

Academic & Biotech R&D Screening

For early-phase parallel medicinal chemistry, high assay purity (>99%) and crystal homogeneity are critical to prevent false-positive bioassay hits. We supply researchers with validated 100g, 500g, and 1kg hermetically sealed bottles complete with detailed batch NMR and MS data sets for rapid laboratory screening.

CDMO Scale-Up & Pilot Batches

During Phase I and Phase II clinical candidate campaigns, contract development and manufacturing organizations (CDMOs) require batch sizes between 25 kg and 200 kg. Our intermediate consistency guarantees identical crystallization morphology, predictable filtration rates, and zero process adjustments during scale transition.

Multi-Ton Commercial API Manufacture

For approved, commercial pharmaceutical drugs utilizing 4-substituted piperidine cores, reliability of continuous supply is essential. We establish dedicated multi-ton supply agreements accompanied by annual volume rebates, safety reserve stocks, and comprehensive change-control notifications (CCN).

Technical Clarifications

Frequently Asked Questions: CAS 40064-34-4 Sourcing

Comprehensive technical and commercial answers designed to streamline due diligence for chemical procurement teams and analytical scientists.

What is the standard purity specification of your CAS 40064-34-4?
Our standard commercial release specification guarantees an HPLC purity of ≥99.0%, with typical production lots testing between 99.3% and 99.7% area purity. Individual single unknown impurities are kept below 0.10%, and moisture content (determined via Karl Fischer titration) is held under 0.50% w/w.
How is CAS 40064-34-4 classified for international transportation?
CAS 40064-34-4 (tert-Butyl 4-oxopiperidine-1-carboxylate) is classified as non-hazardous for transportation by air (IATA/ICAO), sea (IMDG), and road/rail (ADR/RID). It does not require UN dangerous goods packaging or specialized hazmat surcharges. We provide complete non-dangerous goods declaration certificates with every export shipment.
What analytical documents accompany my commercial shipment?
Every shipment includes a lot-specific Certificate of Analysis (COA) containing exact tested parameters, raw HPLC chromatograms with full peak integration data, LC-MS spectra confirming molecular ion mass, and the GHS-compliant 16-section Safety Data Sheet (SDS). Additional spectroscopic data (such as 1H-NMR, 13C-NMR, FT-IR) is available upon request.
What are the recommended warehouse storage conditions?
The compound should be stored in tightly sealed containers in a cool, dry, well-ventilated area away from direct sunlight and incompatible materials (such as strong acids and strong oxidizing agents). Optimal warehouse storage temperature is 2 °C to 8 °C (refrigerated) for prolonged shelf-life, although ambient storage below 25 °C is fully stable for standard operational periods up to 24 months.
Can you provide custom packaging or customer-specific lot sizes?
Yes. While our standard industrial packing configuration is 25 kg fiber drums with double inner PE vacuum bags, we routinely prepare custom package sizes ranging from 1 kg aluminum barrier foil pouches to 5 kg, 10 kg, or 50 kg specialized drums. Custom batch labeling and barcodes aligned with your internal warehouse enterprise management system are supported.
What are typical lead times for spot orders versus bulk contracts?
Spot orders within our standard buffer inventory (up to 500 kg) typically dispatch within 48 to 72 hours following commercial invoice execution. For multi-ton custom manufacturing campaigns, production and QC analytical release typically require 2 to 3 weeks, followed by expedited air or ocean shipping based on Incoterms (FOB, CIF, CFR, DDP).
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