(S)-Benzyl 2-(iodomethyl)pyrrolidine-1-carboxylate CAS 172885-53-9
| CAS No. | 172885-53-9 |
| Molecular Formula | C13H16INO2 |
| Molecular Weight | 345.18 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(S)-Benzyl 2-(iodomethyl)pyrrolidine-1-carboxylate (CAS 172885-53-9) is a high-purity analytical reference standard with the molecular formula C13H16INO2 and a molecular weight of 345.18 g/mol.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, iodine substitution, (S)-Benzyl 2-(iodomethyl)pyrrolidine-1-carboxylate is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 345.18 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C13H16INO2 |
| Molecular Weight | 345.18 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 |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2006 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
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- (S)-Benzyl 3-iodopiperidine-1-carboxylate (CAS 1354009-35-0)
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- 4'-([2,2':6',2"-Terpyridin]-4'-yl)-[1,1'-biphenyl]-4-carbaldehyde (CAS 2042511-09-9)
- 4-(3,4-Dihydroisoquinolin-2(1H)-yl)-2-(pyridin-3-yl)quinazoline (CAS 796079-91-9)
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