1-(Tert-butyl) 2-methyl (2S,4R)-4-(3-bromophenoxy)pyrrolidine-1,2-dicarboxylate CAS 2442510-65-6
| CAS No. | 2442510-65-6 |
| Molecular Formula | C17H22BrNO5 |
| Molecular Weight | 400.26 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 400.26 g/mol gives 1-(Tert-butyl) 2-methyl (2S,4R)-4-(3-bromophenoxy)pyrrolidine-1,2-dicarboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
CATO supplies 1-(Tert-butyl) 2-methyl (2S,4R)-4-(3-bromophenoxy)pyrrolidine-1,2-dicarboxylate (CAS 2442510-65-6), a certified reference material (molecular formula C17H22BrNO5, MW 400.26 g/mol) for analytical method development and quality control.
Structurally, 1-(Tert-butyl) 2-methyl (2S,4R)-4-(3-bromophenoxy)pyrrolidine-1,2-dicarboxylate (C17H22BrNO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, 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 400.26 g/mol, it falls into the moderately-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 | C17H22BrNO5 |
| Molecular Weight | 400.26 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| 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.) | 2000 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (2Z,4E)-2-Cyano-N-[(1E)-{[(2,4-dichlorophenyl)methoxy]imino}methyl]-5-phenylpenta-2,4-dienamide (CAS 338976-40-2)
- 1-(Tert-butyl) 2-methyl (2S,4S)-4-(3-bromophenoxy)pyrrolidine-1,2-dicarboxylate (CAS 2097754-90-8)
- N,N-dibenzyl-5-iodopyridin-2-amine (CAS 1408279-52-6)
- 1-[(2,4-Dichlorophenyl)methoxy]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine (CAS 339027-99-5)
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- Ethyl 4-Isopropyl-4-piperidinecarboxylate Hydrochloride (CAS 1186663-19-3)
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