2-(Benzyl(phenyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrochloride CAS 111011-53-1
| CAS No. | 111011-53-1 |
| Molecular Formula | C34H38N3O7P |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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 2-(Benzyl(phenyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrochloride.
2-(Benzyl(phenyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrochloride (CAS 111011-53-1), molecular formula C34H38N3O7PHCl and molecular weight 668.12 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-(Benzyl(phenyl)amino)ethyl 5-(5,5-dimethyl-2-oxido-1,3,2-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate hydrochloride (C34H38N3O7PHCl) contains a nitrogen-containing heterocyclic scaffold, an amide group, a phosphate ester group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 16.5, corresponding to approximately 16 ring(s) or double-bond equivalent(s). With a molecular weight of 668.12 g/mol, it falls into the high-molecular-weight range. 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.
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 Formula | C34H38N3O7P HCl |
| Molecular Weight | 668.12 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May 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) | 16.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine (CAS 794451-98-2)
- 3-((1H-Pyrazol-1-yl)methyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a][1,4]diazepine (CAS 1422069-30-4)
- (S)-6,6a,7,8,9,10-Hexahydro-5H-pyrido[1,2-a]quinoxaline (CAS 1414960-52-3)
- 5-(4-Methoxyphenyl)-4-[4-(trifluoromethoxy)-phenyl]-4H-1,2,4-triazole-3-thiol (CAS 1171522-84-1)
- 2-(1-((3-Hydroxybutyl)amino)ethyl)phenol (CAS 1342002-74-7)
- (1-(But-3-en-1-yl)-1H-pyrazol-4-yl)methanamine (CAS 1339176-44-1)
- o-Aminobenzoylglycyl-p-nitro-L-phenylalanyl-L-proline (CAS 67482-93-3)
- 4-(3,5-Dimethylbenzoyl)quinoline (CAS 1706456-87-2)
- 4-((2-Methoxyethyl)amino)-3-nitrobenzamide (CAS 550368-49-5)
- Semaglutide impurity 210 (CAS CATO-C4X-2226210)
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