3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione CAS 1542197-69-2

Purity 97%+In StockPharmaceutical Standards
CAS No.1542197-69-2
Molecular FormulaC48H33F6N3O2
Molecular Weight797.78 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione CAS 1542197-69-2 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 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione.

3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione (CAS 1542197-69-2), molecular formula C48H33F6N3O2 and molecular weight 797.78 g/mol, is a CATO reference standard with documented purity and traceability.

3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione (C48H33F6N3O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

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.

CATO manufactures 3-[[3,5-Bis(trifluoromethyl)phenyl]amino]-4-[[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1',2'-e]azepin-4-yl]-1,2-diphenylethyl]amino]-3-cyclobutene-1,2-dione under ISO 17034:2016 accreditation with dual CNAS and ANAB accreditation. Each batch is characterized by orthogonal methods and supplied with a full Certificate of Analysis (COA), ensuring metrological traceability.

Physical & Chemical Properties

Molecular FormulaC48H33F6N3O2
Molecular Weight797.78 g/mol
Purity97%+
StorageStore in a cool place (≤25°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)31.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1992
Halogen ContentF-containing
Nitrogen Atoms3

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