Description

1-tert-Butyl 3-Methyl 1,4-Diazepane-1,3-Dicarboxylate-Hcl is a high-purity, protected diazepane derivative primarily used as a critical synthetic intermediate in advanced organic chemistry. This compound matters for its role in constructing complex molecular architectures, particularly in the development of novel active pharmaceutical ingredients (APIs) and fine chemicals. It is essential for research chemists and process development scientists in the pharmaceutical, agrochemical, and specialty chemical industries who require reliable, high-quality building blocks for complex synthesis.

Application

• Pharmaceutical Intermediate: A key building block in the synthesis of novel drug candidates, particularly those containing the diazepane scaffold for central nervous system (CNS) or other therapeutic applications.
• Agrochemical Research: Used in the development of new pesticides and herbicides, where the diazepane structure can contribute to biological activity.
• Fine Chemical Synthesis: Serves as a versatile intermediate for creating complex molecules used in material science, catalysts, and specialty polymers.
• Academic & Contract Research: Employed in university and CRO (Contract Research Organization) laboratories for method development and exploratory chemistry projects.
• Process Chemistry Development: Used for scaling up synthetic routes from laboratory to pilot plant and commercial production.
• Chemical Library Synthesis: A valuable reagent for generating diverse compound libraries for high-throughput screening in drug discovery.

Basic Information

Product Name	1-tert-Butyl 3-Methyl 1,4-Diazepane-1,3-Dicarboxylate Hydrochloride
CAS No.	1253789-07-9
Molecular Formula	C13H24N2O4 • HCl
Molecular Weight	308.80 g/mol
Synonyms	1-(tert-Butoxycarbonyl)-3-methyl-1,4-diazepane-3-carboxylate hydrochloride; 1-Boc-3-methyl-1,4-diazepane-3-carboxylic acid methyl ester hydrochloride; tert-Butyl 3-methyl-3-(methoxycarbonyl)-1,4-diazepane-1-carboxylate hydrochloride; 1,4-Diazepane-1,3-dicarboxylic acid, 1-(1,1-dimethylethyl) 3-methyl ester, hydrochloride; Boc-3-methyl-1,4-diazepane-3-COOMe•HCl; Protected 1,4-Diazepane Dicarboxylate HCl Salt
EINECS	Contact for details

Quality Control

Our 1-tert-Butyl 3-Methyl 1,4-Diazepane-1,3-Dicarboxylate-Hcl is manufactured under strict quality management systems to ensure batch-to-batch consistency and high purity suitable for research and development applications. Each lot undergoes comprehensive analytical testing, including HPLC, NMR, and mass spectrometry, to confirm identity and purity. Certificates of Analysis (COA) detailing all test results are provided with every shipment and are available upon request.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (15-25°C). This product is hygroscopic (moisture-sensitive); therefore, containers must be kept tightly sealed and consideration should be given to storage under an inert atmosphere for long-term preservation.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 1.0%
Residue on Ignition	≤ 0.5%

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