1-tert-Butyl 5-methyl 2-(chloromethyl)-1H-benzo[d]imidazole-1,5-dicarboxylate CAS 878026-13-2

Purity 97%+In StockPharmaceutical Standards
CAS No.878026-13-2
Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

1-tert-Butyl 5-methyl 2-(chloromethyl)-1H-benzo[d]imidazole-1,5-dicarboxylate CAS 878026-13-2 chemical structure

Description

The occurrence of 1-tert-Butyl 5-methyl 2-(chloromethyl)-1H-benzo[d]imidazole-1,5-dicarboxylate is closely related to a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

1-tert-Butyl 5-methyl 2-(chloromethyl)-1H-benzo[d]imidazole-1,5-dicarboxylate (CAS 878026-13-2), molecular formula C15H17ClN2O4 and molecular weight 324.76 g/mol, is a CATO reference standard with documented purity and traceability.

The molecular framework of 1-tert-Butyl 5-methyl 2-(chloromethyl)-1H-benzo[d]imidazole-1,5-dicarboxylate (C15H17ClN2O4) is characterized by a flavonoid 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.

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

As a certified reference material (CRM), 1-tert-Butyl 5-methyl 2-(chloromethyl)-1H-benzo[d]imidazole-1,5-dicarboxylate meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.

Physical & Chemical Properties

Molecular FormulaC15H17ClN2O4
Molecular Weight324.76 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor)
Purity97%+
StorageStore at 2-8°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)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentCl-containing
Nitrogen Atoms2

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