Description

Benzyl 2-Benzyl-4-Chloro-8,9-Dihydro-5H-Pyrimido[4,5-D]Azepine-7(6H)-Carboxylate is a high-purity, advanced pharmaceutical intermediate belonging to a class of complex heterocyclic compounds. This compound is critical for research and development in medicinal chemistry, particularly in the synthesis of novel active pharmaceutical ingredients (APIs) targeting central nervous system and other therapeutic areas. It is primarily utilized by pharmaceutical R&D laboratories, custom synthesis providers, and fine chemical manufacturers requiring a reliable source of this specialized building block.

Application

• Pharmaceutical Intermediate: A key building block in the multi-step synthesis of novel drug candidates, particularly those with pyrimidoazepine scaffolds.
• Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization processes for new therapeutic agents.
• Custom Synthesis: Serves as a starting material or intermediate for contract research organizations (CROs) and CDMOs offering bespoke chemical synthesis services.
• API Development: Employed in the development and scale-up processes for potential active pharmaceutical ingredients, especially in neurological and psychiatric drug discovery.
• Chemical Reference Standard: Can be supplied as a high-purity standard for analytical method development and quality control in pharmaceutical manufacturing.
• Academic Research: Used in university and institutional labs for fundamental studies in organic synthesis and heterocyclic chemistry.

Basic Information

Product Name	Benzyl 2-Benzyl-4-Chloro-8,9-Dihydro-5H-Pyrimido[4,5-D]Azepine-7(6H)-Carboxylate
CAS No.	1065113-62-3
Molecular Formula	C24H22ClN3O2
Molecular Weight	419.90 g/mol
Synonyms	7H-Pyrimido[4,5-d]azepine-7-carboxylic acid, 8,9-dihydro-4-chloro-2-(phenylmethyl)-, phenylmethyl ester; Benzyl 2-benzyl-4-chloro-5,6,8,9-tetrahydro-7H-pyrimido[4,5-d]azepine-7-carboxylate; 1065113-62-3; UNII-9V6B275X8H; 9V6B275X8H; SCHEMBL12542227; DTXSID80446398
EINECS	Contact for details

Quality Control

Our production of Benzyl 2-Benzyl-4-Chloro-8,9-Dihydro-5H-Pyrimido[4,5-D]Azepine-7(6H)-Carboxylate adheres to stringent quality management systems. Every batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation via NMR and mass spectrometry, to ensure compliance with research-grade and pharmaceutical intermediate standards. A comprehensive Certificate of Analysis (COA) detailing all test results is provided with each shipment to guarantee traceability and product integrity.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated place at a controlled room temperature (typically 15-25°C). This compound may be moisture-sensitive; keep the container tightly sealed under an inert atmosphere if specified. Keep away from heat and incompatible materials.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

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