(3R,4S)-1-(tert-Butoxycarbonyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid CAS 955137-86-7
| CAS No. | 955137-86-7 |
| Molecular Formula | C16H20ClNO4 |
| Molecular Weight | 325.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid (CAS 955137-86-7), molecular formula C16H20ClNO4 and molecular weight 325.79 g/mol, is a CATO reference standard with documented purity and traceability.
(3R,4S)-1-(tert-Butoxycarbonyl)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid (C16H20ClNO4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C16H20ClNO4 |
| Molecular Weight | 325.79 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, 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.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- tert-butyl N-[5-chloro-2-(oxolane-2-carbonyl)phenyl]carbamate (CAS 1955530-98-9)
- (3S,4R)-1-Boc-4-(4-chlorophenyl)pyrrolidine-3-carboxylic Acid (CAS 851484-56-5)
- 7-chloro-2-ethyl-4,4-dioxo-1,2,3-trihydro-4-thiaquinazoline-6-sulfonamide (CAS 1824-58-4)
- (4-(5-((3-Chlorobenzyl)amino)pyrazin-2-yl)phenyl)methanol (CAS 920527-78-2)
- [Tris(3,5-dimethyl-1H-pyrazolato)hydroborato]bis(triphenylphosphine)rhodium(I) toluene adduct (CAS 341483-76-9)
- 5-[(methylsulfanyl)methyl]furan-2-carboxylic acid (CAS 94084-70-5)
- 4-Oxocyclohexanecarbonyl chloride (CAS 914637-80-2)
- 2-(Cyclopentyloxy)-5-methylpyridin-3-ol (CAS 1881291-49-1)
- 5-Bromo-1-butyl-3-(trifluoromethyl)-1H-pyrazole (CAS 1881292-74-5)
- 9-(Tetrahydrofuran-2-yl)-9H-purine-6-thiol (CAS 42204-09-1)
- N-(4-Fluoro-5-methyl-2-nitrophenyl)acetamide (CAS 97398-89-5)
- trans-4-(trifluoromethyl)cyclohexyl methanol (CAS 1202577-61-4)
- tert-Butyl 4-[3-(methoxycarbonyl)benzamido]piperidine-1-carboxylate (CAS 1038409-55-0)
- C-Peptide 2 (rat) (CAS 41594-08-5)
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