(3R,6S)-3-Amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one (hydrochloride) CAS 953077-37-7
| CAS No. | 953077-37-7 |
| Molecular Formula | C14H15F5N2O |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of (3R,6S)-3-Amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one (hydrochloride) (C14H15F5N2OHCl) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), 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.
(3R,6S)-3-Amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one (hydrochloride) (CAS 953077-37-7), molecular formula C14H15F5N2OHCl and molecular weight 358.74 g/mol, is a CATO reference standard with documented purity and traceability.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO manufactures (3R,6S)-3-Amino-6-(2,3-difluorophenyl)-1-(2,2,2-trifluoroethyl)azepan-2-one (hydrochloride) 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 Formula | C14H15F5N2O HCl |
| Molecular Weight | 358.74 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in DMSO, DMF, methanol |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- tert-Butyl (1-((S)-2-amino-3-methylbutanoyl)pyrrolidin-3-yl)(cyclopropyl)carbamate (CAS 1354025-66-3)
- 2,3-Anthracenedicarboxylic Anhydride (CAS 6812-14-2)
- 3-(5-((2,6-Difluorobenzyl)thio)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)pyridine (CAS 578762-54-6)
- 5,6-Dichloro-3-pyridinemethanol (CAS 54127-30-9)
- Parvodicin C1 (CAS 110882-84-3)
- 2-Imino-1-(2-methoxyethyl)-5-oxo-N-(pyridin-3-ylmethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 510762-45-5)
- 2-[9-(4-methoxyphenyl)-6-oxo-6,9-dihydro-1h-purin-1-yl]acetic acid (CAS 937599-53-6)
- 2-(6-Chloro-4-oxoquinazolin-3(4H)-yl)acetic acid (CAS 83798-86-1)
- methyl 5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate (CAS 1434141-72-6)
- Semaglutide Impurity 11 (CAS CATO-C4X-222611)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
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