(4-(4-(3-Oxo-3'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-spiro[isobenzofuran-1,9'-xanthen]-6'-yl)piperazin-1-yl)butyl)triphenylphosphonium CAS 1041634-69-8

Purity 97%+In StockPharmaceutical Standards
CAS No.1041634-69-8
Molecular FormulaC52H53BN2O5P
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(4-(4-(3-Oxo-3'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-spiro[isobenzofuran-1,9'-xanthen]-6'-yl)piperazin-1-yl)butyl)triphenylphosphonium CAS 1041634-69-8 chemical structure

Description

The molecular framework of (4-(4-(3-Oxo-3'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-spiro[isobenzofuran-1,9'-xanthen]-6'-yl)piperazin-1-yl)butyl)triphenylphosphonium (C52H53BN2O5PI) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a phosphate ester group, a hydroxyl group, an ether linkage, iodine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.

(4-(4-(3-Oxo-3'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-spiro[isobenzofuran-1,9'-xanthen]-6'-yl)piperazin-1-yl)butyl)triphenylphosphonium (CAS 1041634-69-8) is a high-purity analytical reference standard with the molecular formula C52H53BN2O5PI and a molecular weight of 954.69 g/mol.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

Physical & Chemical Properties

Molecular FormulaC52H53BN2O5P I
Molecular Weight954.69 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)27.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1988
Halogen ContentI-containing
Nitrogen Atoms2

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