Benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate CAS 1065113-62-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1065113-62-3
Molecular FormulaC23H22ClN3O2
Molecular Weight407.89 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate CAS 1065113-62-3 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including Benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate.

Benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate (CAS 1065113-62-3) is a high-purity analytical reference standard with the molecular formula C23H22ClN3O2 and a molecular weight of 407.89 g/mol.

The molecular framework of Benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate (C23H22ClN3O2) is characterized by a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

CATO manufactures Benzyl 2-benzyl-4-chloro-8,9-dihydro-5H-pyrimido[4,5-d]azepine-7(6H)-carboxylate under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC23H22ClN3O2
Molecular Weight407.89 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentCl-containing
Nitrogen Atoms3

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