Description

tert-Butyl 4-Hydroxy-8,9-Dihydro-5H-Pyrimido[4,5-D]Azepine-7(6H)-Carboxylate is a sophisticated heterocyclic building block of significant interest in advanced organic synthesis. This compound matters because it serves as a key intermediate for constructing complex molecular architectures, particularly in pharmaceutical research and development. It is primarily needed by R&D chemists and process development scientists working on novel active pharmaceutical ingredients (APIs), especially within therapeutic areas targeting the central nervous system and oncology.

Application

• Pharmaceutical Intermediate: A critical precursor in the synthesis of novel drug candidates, particularly kinase inhibitors and other targeted therapies.
• Medicinal Chemistry Research: Used in lead optimization and structure-activity relationship (SAR) studies to develop new pharmacophores.
• Process Chemistry Development: Serves as a standard or starting material for scaling up synthetic routes under Good Manufacturing Practice (GMP) conditions.
• Chemical Biology Probes: Utilized in the development of tool compounds for studying biological pathways and target validation.
• Custom Synthesis: Employed by contract research and manufacturing organizations (CROs/CMOs) for client-specific projects requiring complex heterocyclic cores.
• Academic Research: Used in university and institutional labs for methodological development in organic and heterocyclic chemistry.

Basic Information

Product Name	tert-Butyl 4-Hydroxy-8,9-Dihydro-5H-Pyrimido[4,5-D]Azepine-7(6H)-Carboxylate
CAS No.	951134-38-6
Molecular Formula	C14H19N3O3
Molecular Weight	277.32 g/mol
Synonyms	7-(tert-Butoxycarbonyl)-4-hydroxy-5,6,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine; tert-Butyl 4-hydroxy-5,6,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine-7-carboxylate; 5H-Pyrimido[4,5-d]azepine-7-carboxylic acid, 8,9-dihydro-4-hydroxy-, 1,1-dimethylethyl ester; 4-Hydroxy-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylic acid tert-butyl ester; TBHDAPC; CAS 951134-38-6
EINECS	Contact for details

Quality Control

Our tert-Butyl 4-Hydroxy-8,9-Dihydro-5H-Pyrimido[4,5-D]Azepine-7(6H)-Carboxylate is produced under strict quality management systems. Each batch undergoes rigorous analytical testing, including HPLC for purity and identity confirmation, to ensure it meets the high standards required for pharmaceutical R&D. Certificates of Analysis (COA) with detailed chromatographic data are provided with every shipment to guarantee traceability and batch-to-batch consistency.

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). Keep the container tightly sealed in a dry environment to protect the compound from moisture.

Specification

Item	Specification
Appearance	White to off-white powder
Identification (IR)	Conforms to structure
Identification (HPLC)	Conforms to reference standard
Purity (HPLC)	≥ 97.0%
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Single Unknown Impurity (HPLC)	≤ 1.0%
Total Impurities (HPLC)	≤ 3.0%

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