(S)-tert-butyl 1-(4-cyanophenyl)ethylcarbamate CAS 847729-63-9

Purity 97%+In StockPharmaceutical Standards
CAS No.847729-63-9
Molecular FormulaC14H18N2O2
Molecular Weight246.30 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(S)-tert-butyl 1-(4-cyanophenyl)ethylcarbamate CAS 847729-63-9 chemical structure

Description

The occurrence of (S)-tert-butyl 1-(4-cyanophenyl)ethylcarbamate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

(S)-tert-butyl 1-(4-cyanophenyl)ethylcarbamate (CAS 847729-63-9), molecular formula C14H18N2O2 and molecular weight 246.30 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, (S)-tert-butyl 1-(4-cyanophenyl)ethylcarbamate (C14H18N2O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 246.30 g/mol, it falls into the medium-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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 FormulaC14H18N2O2
Molecular Weight246.30 g/mol
AppearanceOff-white to pale 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)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Nitrogen Atoms2

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