tert-Butyl 4-(2,6-dichloropyridin-4-yl)piperazine-1-carboxylate CAS 1367126-89-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1367126-89-3
Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 4-(2,6-dichloropyridin-4-yl)piperazine-1-carboxylate CAS 1367126-89-3 chemical structure

Description

The occurrence of tert-Butyl 4-(2,6-dichloropyridin-4-yl)piperazine-1-carboxylate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

tert-Butyl 4-(2,6-dichloropyridin-4-yl)piperazine-1-carboxylate (CAS 1367126-89-3), molecular formula C14H19Cl2N3O2 and molecular weight 332.23 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, tert-Butyl 4-(2,6-dichloropyridin-4-yl)piperazine-1-carboxylate (C14H19Cl2N3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 332.23 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC14H19Cl2N3O2
Molecular Weight332.23 g/mol
AppearanceOff-white to pale yellow crystalline powder. (slight halide-like odor, low volatility)
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)6.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Halogen ContentCl-containing
Nitrogen Atoms3

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