Description

1-Boc-3-Oxo-1,4-Diazepane CAS NO 179686-38-5 is a high-purity, protected heterocyclic building block of significant importance in modern synthetic organic chemistry. This compound serves as a versatile and critical intermediate for the efficient synthesis of complex pharmaceutical molecules, particularly those containing the 1,4-diazepane scaffold. It is primarily sought after by research and development chemists and process scale-up teams within the pharmaceutical, agrochemical, and fine chemical industries for constructing novel active ingredients and exploring new chemical entities.

Application

• Pharmaceutical Intermediate: Key precursor in the synthesis of active pharmaceutical ingredients (APIs) containing the 1,4-diazepane core, a structure found in various therapeutic agents.
• Medicinal Chemistry Research: Essential building block for constructing diverse compound libraries in drug discovery programs targeting neurological disorders, cancer, and other disease areas.
• Process Chemistry & Scale-Up: Used in the development and optimization of robust, scalable synthetic routes for candidate drugs during late-stage research and pre-clinical development.
• Peptidomimetic Synthesis: Employed in the design and synthesis of peptidomimetics and constrained peptides, where the diazepane ring can mimic peptide turns and improve metabolic stability.
• Agrochemical Development: Intermediate for creating novel herbicides, fungicides, or insecticides that utilize heterocyclic frameworks for enhanced activity.
• Custom Synthesis & Contract Manufacturing: Supplied to CDMOs (Contract Development and Manufacturing Organizations) for the production of specialized intermediates under cGMP or non-GMP conditions as required.

Basic Information

Product Name	1-Boc-3-Oxo-1,4-Diazepane
CAS No.	179686-38-5
Molecular Formula	C11H18N2O3
Molecular Weight	226.27 g/mol
Synonyms	1-(tert-Butoxycarbonyl)-3-oxo-1,4-diazepane; tert-Butyl 3-oxo-1,4-diazepane-1-carboxylate; 1,4-Diazepane-1-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester; 3-Oxo-1,4-diazepane-1-carboxylic acid tert-butyl ester; 1-Boc-3-oxoperhydro-1,4-diazepine; Boc-3-oxo-1,4-diazepane
EINECS	Contact for details

Quality Control

Our 1-Boc-3-Oxo-1,4-Diazepane is manufactured under strict quality control protocols to ensure batch-to-batch consistency and high chemical purity suitable for sensitive synthetic applications. Each lot is analyzed using advanced techniques including HPLC, NMR, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing identity, purity, and impurity profiles is provided with every shipment. We support development under various quality regimes, and custom synthesis to meet specific pharmacopeial or internal specifications is available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); the container must be kept tightly sealed in a dry environment to prevent degradation. For long-term storage, consider using desiccants.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	< 10 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.