tert-Butyl ((1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl)carbamate CAS 2222114-19-2

Purity 97%+In StockPharmaceutical Standards
CAS No.2222114-19-2
Molecular FormulaC18H23ClN2O3
Molecular Weight350.84 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

tert-Butyl ((1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl)carbamate CAS 2222114-19-2 chemical structure

Description

tert-Butyl ((1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl)carbamate (CAS 2222114-19-2), molecular formula C18H23ClN2O3 and molecular weight 350.84 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, tert-Butyl ((1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl)carbamate (C18H23ClN2O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 350.84 g/mol, it falls into the moderately-high-molecular-weight range. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).

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 ((1r,4r)-4-(3-chloro-4-cyanophenoxy)cyclohexyl)carbamate 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 FormulaC18H23ClN2O3
Molecular Weight350.84 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.)1998
Halogen ContentCl-containing
Nitrogen Atoms2

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