1-((2S,5R)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)-5-iodopyrimidine-2,4(1H,3H)-dione CAS 137530-48-4
| CAS No. | 137530-48-4 |
| Molecular Formula | C8H9IN2O4S |
| Molecular Weight | 356.14 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
1-((2S,5R)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)-5-iodopyrimidine-2,4(1H,3H)-dione (CAS 137530-48-4), molecular formula C8H9IN2O4S and molecular weight 356.14 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, iodine substitution, 1-((2S,5R)-2-(Hydroxymethyl)-1,3-oxathiolan-5-yl)-5-iodopyrimidine-2,4(1H,3H)-dione is typically off-white to pale yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 356.14 g/mol — guide the selection of appropriate sample preparation and analytical techniques. 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 | C8H9IN2O4S |
| Molecular Weight | 356.14 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, ethanol, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1996 |
| Halogen Content | I-containing |
| Nitrogen Atoms | 2 |
| Sulfur Atoms | 1 |
Recommended Standards
- tert-Butyl (2-bromo-4-(trifluoromethoxy)phenyl)carbamate (CAS 1057720-35-0)
- 2-((3-Fluoro-4-methylphenyl)amino)-2-oxoethyl 5-bromofuran-2-carboxylate (CAS 733025-22-4)
- N-(5-amino-2-fluorophenyl)-2-iodobenzamide (CAS 926264-63-3)
- tert-Butyl (3-bromo-4-(trifluoromethoxy)phenyl)carbamate (CAS 839715-01-4)
- 7-Methyl-7,8-dihydroquinoline-2,5(1H,6H)-dione (CAS 106551-82-0)
- 4-Bromo-2-(chloromethyl)-6-iodopyridine (CAS 1393583-29-3)
- 4-(4-Benzyl-1-piperazinyl)-3-nitrobenzoic acid (CAS 312921-86-1)
- 5-Cyclopropoxy-3-iodo-N,N-dimethylpicolinamide (CAS 1243480-82-1)
- Hydroquinidine 4-methyl-2-quinolyl ether (CAS 135042-89-6)
- 1-[2-[(Tetrahydropyran-4-yl)oxy]phenyl]methylamine (CAS 898289-33-3)
- Amlodipine Impurity N15 (CAS 19532-97-9)
- n-(2,2,2-Trifluoroethyl)cyclobutanamine (CAS 1116744-54-7)
- 2-(4-((5-Amino-6-chloropyrimidin-4-yl)amino)phenyl)ethanol (CAS 16208-01-8)
- Cycloaspeptide D (CAS 691363-62-9)
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