(3E)-1,1,1-Trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)but-3-en-2-one CAS 478040-73-2

Purity 97%+In StockPharmaceutical Standards
CAS No.478040-73-2
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(3E)-1,1,1-Trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)but-3-en-2-one CAS 478040-73-2 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.

(3E)-1,1,1-Trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)but-3-en-2-one (CAS 478040-73-2) is a high-purity analytical reference standard with the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol.

The molecular framework of (3E)-1,1,1-Trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)but-3-en-2-one (C13H12F3NO) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

As a certified reference material (CRM), (3E)-1,1,1-Trifluoro-4-(1,2,3,4-tetrahydroisoquinolin-2-yl)but-3-en-2-one 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 FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Purity97%+
StorageStore at 2-8°C, protect from light, keep tightly closed to prevent evaporation
Solubility (reference)Soluble in chloroform, dichloromethane, ethyl acetate, DMSO
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light
Degree of Unsaturation (DBE)7.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF-containing
Nitrogen Atoms1

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