Hexahydro-1H-azepine-1-carbaldehyde CAS 25114-81-2 95% Colorless to Pale Yellow Liquid Organic Synthesis Intermediate N-Formyl Azepane

1. Product Overview

Hexahydro-1H-azepine-1-carbaldehyde (CAS: 25114-81-2), also known as azepane-1-carbaldehyde or N-formylhexahydroazepine (N-formylhexamethyleneimine), is a seven-membered saturated cyclic amine bearing a formyl group at the nitrogen atom. It appears as a colorless to pale yellow liquid with a characteristic amine/aldehyde odor. This compound is commonly used as an N-formylated cyclic amine building block in organic synthesis, particularly in the preparation of heterocyclic pharmaceuticals, peptide mimetics, and as an intermediate in multi-step alkylation or reduction sequences. Each lot is accompanied by a CoA including GC/HPLC assay and ¹H NMR verification.

2. Key Features and Advantages

• High Purity: ≥95% (GC/HPLC), suitable for sensitive organic transformations

• Fully Characterized: Confirmed by ¹H NMR, IR, and MS; CoA provided per batch

• Versatile Reactivity: Formyl group amenable to reduction (→ N-methylazepane), condensation (→ imines/enamines), and nucleophilic addition; cyclic amine participates in alkylation and acylation

• Low Residual Impurities: Controlled residual solvents and water content per ICH Q3 guidelines

• Flexible Packaging: Available in 1 g / 5 g / 10 g / 25 g / 50 g / 100 g; bulk kg on request; amber glass bottle with N₂ flush option

• Batch Traceability: Individually lot-numbered with retained sample for re-test

3. Main Applications

• Pharmaceutical Intermediate: Used as an N-formylated cyclic amine synthon in the synthesis of bioactive azepane-containing drug candidates

• Organic Synthesis Building Block: Serves in reductive amination, imine formation, and as a precursor to N-alkyl or N-acyl azepanes

• Peptide & Heterocycle Research: Employed in the preparation of conformationally constrained cyclic amine motifs and peptidomimetics

• Process Chemistry: Intermediate in the synthesis of fine chemicals and specialty nitrogen heterocycles

4. Technical Specifications

5. Storage and Handling

• Recommended Storage: Store in a cool, dry place (15–25 °C) in a tightly sealed amber glass container under inert atmosphere (N₂ or Ar) to minimize oxidation and moisture uptake. For long-term storage (>6 months), refrigerate at 2–8 °C.

• Stability: Stable under dry, cool, anaerobic conditions. Sensitive to moisture (may hydrolyze slowly) and prolonged exposure to air/light. The formyl group can be susceptible to oxidation over time.

• Handling Precautions: Use in a well-ventilated area or fume hood. Wear nitrile gloves, safety goggles, and a lab coat. Avoid inhalation of vapors and skin/eye contact.

• Shelf Life: 24 months from date of manufacture when stored as recommended.

6. Safety Overview

• GHS Classification: GHS07 – Warning

• H-Statements: H302 – Harmful if swallowed; H315 – Causes skin irritation; H319 – Causes serious eye irritation; H335 – May cause respiratory irritation

• P-Statements: P261 – Avoid breathing vapor; P264 – Wash hands after handling; P270 – Do not eat/drink/smoke when using; P280 – Wear protective gloves/eye/face protection; P305+P351+P338 – IF IN EYES: rinse cautiously with water; P501 – Dispose of contents/container per local regulations

• First Aid:

• Skin: Remove contaminated clothing, wash with plenty of soap and water. Seek medical attention if irritation persists.

• Eyes: Rinse immediately with flowing water ≥15 min; seek medical advice.

• Inhalation: Move to fresh air; if breathing difficulty occurs, seek medical help.

• Ingestion: Rinse mouth; do NOT induce vomiting. Seek medical advice.

• Transport: Not classified as dangerous goods for transport (non-hazardous per IMDG/IATA/DOT).

• Disposal: Dispose as hazardous organic chemical waste in compliance with local and national regulations. Do not discharge into drains.

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