Tert-butyl (3-(4-chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl)prop-2-yn-1-yl)carbamate CAS 869366-70-1

Purity 97%+In StockPharmaceutical Standards
CAS No.869366-70-1
Molecular FormulaC22H21ClFNO4
Molecular Weight417.86 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Tert-butyl (3-(4-chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl)prop-2-yn-1-yl)carbamate CAS 869366-70-1 chemical structure

Description

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.

Tert-butyl (3-(4-chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl)prop-2-yn-1-yl)carbamate (CAS 869366-70-1) is a high-purity analytical reference standard with the molecular formula C22H21ClFNO4 and a molecular weight of 417.86 g/mol.

Based on its molecular formula C22H21ClFNO4, Tert-butyl (3-(4-chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl)prop-2-yn-1-yl)carbamate contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 417.86 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

As a certified reference material (CRM), Tert-butyl (3-(4-chloro-2-(2-fluoro-6-methoxybenzoyl)phenyl)prop-2-yn-1-yl)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 FormulaC22H21ClFNO4
Molecular Weight417.86 g/mol
AppearancePale yellow to yellow crystalline powder. (slight halide-like odor, low volatility)
Purity97%+
StorageStore at room temperature, protect from light, keep sealed and dry
Solubility (reference)Soluble in methanol, acetonitrile, DMSO, water (slightly soluble)
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1987
Halogen ContentF/Cl-containing
Nitrogen Atoms1

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