Tert-butyl 4-(4-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate CAS 1227954-63-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1227954-63-3
Molecular FormulaC16H22N4O2
Molecular Weight302.37 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Tert-butyl 4-(4-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate CAS 1227954-63-3 chemical structure

Description

Compared with other compounds in its class, the molecular weight of 302.37 g/mol gives Tert-butyl 4-(4-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.

Tert-butyl 4-(4-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate (CAS 1227954-63-3), molecular formula C16H22N4O2 and molecular weight 302.37 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, Tert-butyl 4-(4-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 302.37 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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), Tert-butyl 4-(4-cyanopyridin-2-yl)-1,4-diazepane-1-carboxylate 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 FormulaC16H22N4O2
Molecular Weight302.37 g/mol
AppearancePale yellow to yellow crystalline powder
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
Degree of Unsaturation (DBE)8.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Nitrogen Atoms4

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