tert-Butyl 3-(1,1-difluoroethyl)piperazine-1-carboxylate CAS 1546331-95-6

Purity 97%+In StockPharmaceutical Standards
CAS No.1546331-95-6
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl 3-(1,1-difluoroethyl)piperazine-1-carboxylate CAS 1546331-95-6 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 tert-Butyl 3-(1,1-difluoroethyl)piperazine-1-carboxylate.

tert-Butyl 3-(1,1-difluoroethyl)piperazine-1-carboxylate (CAS 1546331-95-6) is a high-purity analytical reference standard with the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol.

Structurally, tert-Butyl 3-(1,1-difluoroethyl)piperazine-1-carboxylate (C11H20F2N2O2) contains an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 250.29 g/mol, it falls into the medium-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 FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep sealed and dry, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityLight-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)2.0
CAS Registry Year (est.)1992
Halogen ContentF-containing
Nitrogen Atoms2

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