Description

tert-Butyl 4-Chloro-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate is a high-purity, advanced pharmaceutical intermediate characterized by its complex fused heterocyclic structure. This compound is of significant value for its role as a key building block in the synthesis of novel, biologically active molecules, particularly in medicinal chemistry research and development. It is primarily sought after by R&D chemists and process development scientists in the pharmaceutical and biotechnology industries for constructing potential drug candidates targeting various disease pathways.

Application

• Pharmaceutical Intermediate: Serves as a critical precursor in the multi-step synthesis of potential therapeutic agents, especially those with kinase inhibitory activity.
• Medicinal Chemistry Research: Used extensively in hit-to-lead and lead optimization campaigns to explore structure-activity relationships (SAR) and improve drug-like properties.
• Process Chemistry Development: Employed in scaling up synthetic routes from laboratory to pilot plant scale, requiring consistent high purity and reliable supply.
• Bioconjugation & Probe Synthesis: The reactive chloro and carboxylate-protected groups make it suitable for creating chemical probes for biological target identification and validation studies.
• Contract Research & Manufacturing (CRO/CMO): A vital material for organizations providing custom synthesis and development services to the global pharmaceutical industry.

Basic Information

Product Name	tert-Butyl 4-Chloro-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate
CAS No.	1057338-27-8
Molecular Formula	C14H18ClN3O2
Molecular Weight	295.76 g/mol
Synonyms	7H-Pyrimido[4,5-d]azepine-7-carboxylic acid, 4-chloro-5,6,8,9-tetrahydro-, 1,1-dimethylethyl ester; 4-Chloro-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylic acid tert-butyl ester; tert-Butyl 4-chloro-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate; 1057338-27-8; 4-Chloro-7-(tert-butoxycarbonyl)-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine
EINECS	Contact for details

Quality Control

Every batch of tert-Butyl 4-Chloro-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate is manufactured under strict quality management systems. Our products undergo rigorous analytical testing, including HPLC, NMR, and MS, to ensure identity, purity, and consistency that meet the exacting standards of pharmaceutical development. Certificates of Analysis (COA) with full traceability are provided for each lot, confirming compliance with customer specifications and internal quality standards.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at a controlled room temperature (typically 15-25°C). For long-term storage, consider storing under an inert atmosphere to maintain optimal stability.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms
Identification (NMR)	Conforms
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residual Solvents (GC)	Meets ICH Q3C guidelines

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