(11bR)-4-mercapto-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'f][1,3,2]dioxaphosphepin CAS 1314132-81-4

Purity 97%+In StockPharmaceutical Standards
CAS No.1314132-81-4
Molecular FormulaC50H57O3PS
Molecular Weight769.02 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

(11bR)-4-mercapto-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'f][1,3,2]dioxaphosphepin CAS 1314132-81-4 chemical structure

Description

(11bR)-4-mercapto-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'f][1,3,2]dioxaphosphepin (CAS 1314132-81-4) is a high-purity analytical reference standard with the molecular formula C50H57O3PS and a molecular weight of 769.02 g/mol.

Structurally, (11bR)-4-mercapto-2,6-bis[2,4,6-tris(1-methylethyl)phenyl]-4-oxide-dinaphtho[2,1-d:1',2'f][1,3,2]dioxaphosphepin (C50H57O3PS) contains a sulfone group, a phosphonate group, a carboxylic acid group, a hydroxyl group, an ether linkage, a polycyclic aromatic system. The molecule exhibits a degree of unsaturation (DBE) of 22.5, corresponding to approximately 22 ring(s) or double-bond equivalent(s). With a molecular weight of 769.02 g/mol, it falls into the high-molecular-weight range. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

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.

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 FormulaC50H57O3PS
Molecular Weight769.02 g/mol
Purity97%+
StorageStore at room temperature, 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
Degree of Unsaturation (DBE)22.5
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1990
Sulfur Atoms1

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