(2S,4S)-4-(4-Bromo-2-fluorophenoxy)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid CAS 1135227-05-2
| CAS No. | 1135227-05-2 |
| Molecular Formula | C16H19BrFNO5 |
| Molecular Weight | 404.23 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 404.23 g/mol gives (2S,4S)-4-(4-Bromo-2-fluorophenoxy)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(2S,4S)-4-(4-Bromo-2-fluorophenoxy)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid (CAS 1135227-05-2), molecular formula C16H19BrFNO5 and molecular weight 404.23 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (2S,4S)-4-(4-Bromo-2-fluorophenoxy)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid (C16H19BrFNO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.0, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 404.23 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 Formula | C16H19BrFNO5 |
| Molecular Weight | 404.23 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Halogen Content | F/Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- Dotinurad Impurity 235 (CAS CATO-C4X-2494235)
- (2S,4S)-4-(2-Bromo-4-fluorophenoxy)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid (CAS 1354484-75-5)
- Dotinurad Impurity 234 (CAS CATO-C4X-2494234)
- (2S,4S)-4-(4-Bromo-3-fluorophenoxy)-1-(tert-butoxycarbonyl)-2-pyrrolidinecarboxylic acid (CAS 1354486-45-5)
- 5-cyclohexyl-5-methylimidazolidine-2,4-dione (CAS 6326-77-8)
- 3-{[(4-hydroxycyclohexyl)amino]methyl}phenol (CAS 1019623-12-1)
- Ethyl 3,5-dichloro-2-hydroxybenzoate (CAS 68276-69-7)
- 2-Chloro-5-fluoro-3-(trifluoromethyl)phenol (CAS 2056110-39-3)
- 4-(Tert-butoxy)-3-iodoaniline (CAS 1369859-87-9)
- N-(2-Bromo-4-methylphenyl)-2-((5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl)thio)acetamide (CAS 337498-59-6)
- (R)-1-Boc-3-(Methylamino)pyrrolidine hydrochloride (CAS 1004538-35-5)
- 2-ethylnaphthalene-1-carboxylic acid (CAS 1999-98-0)
- (2-Bromo-3,4,5,6-tetrafluorophenyl)boronic acid (CAS 849062-35-7)
- Semaglutide (CAS 910463-68-2)
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