4-Oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester CAS 1134327-89-1

Purity 97%+In StockPharmaceutical Standards
CAS No.1134327-89-1
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-Oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester CAS 1134327-89-1 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 4-Oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester.

4-Oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester (CAS 1134327-89-1), molecular formula C14H17NO3 and molecular weight 247.29 g/mol, is a CATO reference standard with documented purity and traceability.

Based on its molecular formula C14H17NO3, 4-Oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 247.29 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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), 4-Oxo-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester 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 FormulaC14H17NO3
Molecular Weight247.29 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 chloroform, dichloromethane, ethyl acetate, DMSO
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.)1989
Nitrogen Atoms1

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