Description

7H-Pyrimido[4,5-D]Azepine-7-Carboxylic Acid, 2-Cyclopropyl-3,4,5,6,8,9-Hexahydro-4-Oxo-, 1,1-Dimethylethyl Ester is a high-purity, advanced pharmaceutical intermediate characterized by its complex heterocyclic structure. This compound is a critical building block in the synthesis of novel active pharmaceutical ingredients (APIs), offering a strategic advantage for research and development in medicinal chemistry. It is primarily utilized by pharmaceutical R&D laboratories and fine chemical manufacturers targeting the development of new therapeutic agents.

Application

• Pharmaceutical Intermediate: A key precursor in the multi-step synthesis of complex drug candidates, particularly in oncology and central nervous system (CNS) therapeutic areas.
• Medicinal Chemistry Research: Serves as a versatile scaffold for structure-activity relationship (SAR) studies and lead optimization in drug discovery programs.
• Process Chemistry Development: Used in the scale-up and optimization of synthetic routes for new chemical entities (NCEs) under Good Manufacturing Practice (GMP) conditions.
• Contract Research & Manufacturing (CRAM): Supplied to organizations specializing in custom synthesis and development services for the global pharmaceutical industry.
• Academic Research: Employed in university and institutional laboratories for cutting-edge research in organic synthesis and heterocyclic chemistry.

Basic Information

Product Name	7H-Pyrimido[4,5-D]Azepine-7-Carboxylic Acid, 2-Cyclopropyl-3,4,5,6,8,9-Hexahydro-4-Oxo-, 1,1-Dimethylethyl Ester
CAS No.	884487-26-7
Molecular Formula	C17H23N3O3
Molecular Weight	317.38 g/mol
Synonyms	tert-Butyl 2-cyclopropyl-4-oxo-3,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate; 2-Cyclopropyl-4-oxo-1,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxylic acid tert-butyl ester; 7H-Pyrimido[4,5-d]azepine-7-carboxylic acid, 2-cyclopropyl-3,4,5,6,8,9-hexahydro-4-oxo-, 1,1-dimethylethyl ester; tert-Butyl 2-cyclopropyl-4-oxo-1,4,5,6,8,9-hexahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate; 884487-26-7; BOC-protected pyrimidoazepine derivative
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems, ensuring batch-to-batch consistency for critical R&D and scale-up work. Each lot is supported by a comprehensive Certificate of Analysis (COA) detailing purity, identity, and impurity profiles. We employ validated analytical methods, including HPLC, GC, and NMR, to meet the exacting standards required for pharmaceutical development. Specifications can be aligned with GMP guidelines for projects requiring regulatory filing support.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry place at a controlled room temperature (15-25°C). The container should be kept in a well-ventilated area and protected from moisture. For long-term storage, consider under an inert atmosphere.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 10 ppm
Single Unknown Impurity (HPLC)	≤ 0.5%
Total Impurities (HPLC)	≤ 2.0%

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