((3aR,4R,6R,6aR)-6-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol CAS 158078-04-7
| CAS No. | 158078-04-7 |
| Molecular Formula | C14H16ClN3O4 |
| Molecular Weight | 325.75 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
((3aR,4R,6R,6aR)-6-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol (CAS 158078-04-7), molecular formula C14H16ClN3O4 and molecular weight 325.75 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C14H16ClN3O4, ((3aR,4R,6R,6aR)-6-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 325.75 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
As a certified reference material (CRM), ((3aR,4R,6R,6aR)-6-(4-Chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)methanol meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C14H16ClN3O4 |
| Molecular Weight | 325.75 g/mol |
| Appearance | Pale yellow to 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 DMSO, DMF, methanol |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2002 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 7-Chloro-5-((3-methyl-1H-indol-7-yl)amino)pyrido[3,4-d]pyridazin-4(3H)-one (CAS 1564273-29-5)
- (2R,3S,5R)-5-(2-Chloro-6-(cyclopropylamino)-9H-purin-9-yl)-2-(hydroxymethyl)tetrahydrofuran-3-ol (CAS 215108-36-4)
- (1R-4S)-N-[4-Chloro-5-(formylamino)-6-[[4-(hydroxymethyl)-2-cyclopenten-1-yl]amino]-2-pyrimidinyl]acetamide (CAS 136522-32-2)
- 1-(3-Chlorophenyl)-3-(2-(pyridin-3-yl)pyrimidin-4-yl)urea (CAS 866143-32-0)
- 3-Nitro-4-(2,2,2-trifluoroethoxy)benzaldehyde (CAS 959859-92-8)
- 4-Chloro-5-(ethylthio)-2-phenylpyridazin-3(2H)-one (CAS 25381-21-9)
- 3-[[(2,3-Dihydro-1,4-benzodioxin-6-yl)sulfonyl]amino]benzoic acid (CAS 379257-04-2)
- [(2R,3S,5R)-2-Cyano-5-(5-Fluoro-2,4-Dioxo-Pyrimidin-1-ylOxolan-3-Yl] Acetate (CAS 54918-13-7)
- 2-Chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide (CAS 21521-87-9)
- 5-Methoxy-2-benzylbenzimidazole (CAS 40608-76-2)
- 3,5-Dichloro-2-fluoropyridine (CAS 823-56-3)
- 1-Methyl-1h-indole-7-sulfonyl chloride (CAS 941716-95-6)
- 6-Chloro-3H-indole (CAS 754156-53-1)
- Semaglutide Impurity 246 (CAS CATO-C4X-2226246)
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