(3S)-tert-butyl 3-((S)-2-(((benzyloxy)carbonyl)amino)propanamido)-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoate CAS 868565-58-6
| CAS No. | 868565-58-6 |
| Molecular Formula | C26H30F4N2O7 |
| Molecular Weight | 558.52 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
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.
CATO supplies (3S)-tert-butyl 3-((S)-2-(((benzyloxy)carbonyl)amino)propanamido)-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoate (CAS 868565-58-6), a certified reference material (molecular formula C26H30F4N2O7, MW 558.52 g/mol) for analytical method development and quality control.
The molecular framework of (3S)-tert-butyl 3-((S)-2-(((benzyloxy)carbonyl)amino)propanamido)-4-hydroxy-5-(2,3,5,6-tetrafluorophenoxy)pentanoate (C26H30F4N2O7) 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 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.
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 | C26H30F4N2O7 |
| Molecular Weight | 558.52 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- Nilotinib Impurity 39 (CAS 2925306-68-7)
- N2,N4,N6-Tris(4-(2H-tetrazol-5-yl)phenyl)-1,3,5-triazine-2,4,6-triamine (CAS 2410710-17-5)
- Nilotinib Impurity 35 (CAS CATO-C4X-125635)
- Letermovir Impurity 29 (CAS CATO-C4X-291529)
- 1354960-67-0 5-Chloro-2,4-difluoro-N-(methylsulfonyl)benzamide (CAS 1354960-67-0)
- 4-(4-Bromothiophen-2-yl)pyridine (CAS 828928-88-7)
- Perfluoroprop-1-en-2-yl pivalate (CAS 885275-40-1)
- Abiraterone Impurity N1 (CAS 2118-32-3)
- Ethyl 5-(2-Pyridyl)-1H-pyrrole-3-carboxylate (CAS 881674-09-5)
- N-Benzyl-5-bromopyridin-2-amine (CAS 280116-83-8)
- 3-Hydroxy-2,3-dimethylbutan-2-yl hydrogen (2-methyl-5-morpholinothiophen-3-yl)boronate (CAS 2223011-22-9)
- 2-Amino-1-(9-chloro-3,4-dihydro-2h-benzo[b][1,4]dioxepin-7-yl)ethan-1-ol (CAS 1094225-63-4)
- 2,2,2-Trifluoro-1-(2-methoxynaphthalen-1-yl)ethan-1-one (CAS 169295-61-8)
- Semaglutide impurity 202 (CAS CATO-C4X-2226202)
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