(3AR,5S,5aR,8aS,8bR)-5-(chloromethyl)-2,2,7,7-tetramethyltetrahydro-5H-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran CAS 13454-63-2
| CAS No. | 13454-63-2 |
| Molecular Formula | C12H19ClO5 |
| Molecular Weight | 278.73 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
(3AR,5S,5aR,8aS,8bR)-5-(chloromethyl)-2,2,7,7-tetramethyltetrahydro-5H-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran (CAS 13454-63-2), molecular formula C12H19ClO5 and molecular weight 278.73 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (3AR,5S,5aR,8aS,8bR)-5-(chloromethyl)-2,2,7,7-tetramethyltetrahydro-5H-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran (C12H19ClO5) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the polarity and ionization state of its functional groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Physical & Chemical Properties
| Molecular Formula | C12H19ClO5 |
| Molecular Weight | 278.73 g/mol |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 3.0 |
| UV Absorption | UV-absorbing |
| CAS Registry Year (est.) | 1960 |
| Halogen Content | Cl-containing |
Recommended Standards
- 5-Chloro-3-{[(3,4-difluorophenyl)methyl]sulfanyl}-1,2,4-thiadiazole (CAS 1326812-58-1)
- 5-Chloro-1-(4-methoxyphenyl)-3-propyl-1H-pyrazole-4-carbaldehyde (CAS 1354918-64-1)
- 3-(chloromethyl)-5-(4-phenyloxan-4-yl)-1,2,4-oxadiazole (CAS 1311316-70-7)
- 5-Chloro-1-(4-methoxyphenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde (CAS 1354919-77-9)
- 3-Bromo-5,6,7-trimethyl-1,2-dihydro-1,8-naphthyridin-2-one (CAS 2140326-65-2)
- 3-Benzyl-2,4-dimethylfuran (CAS 89100-08-3)
- 1-(Propan-2-yl)pyrrolidin-3-amine (CAS 802293-14-7)
- 4-(Benzyloxy)phenyl 2-(p-tolyl)quinoline-4-carboxylate (CAS 332381-21-2)
- 3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzoic acid (CAS 328028-36-0)
- Methotrexate Impurity 76 (CAS CATO-C4X-115476)
- 2,2,2-Trifluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide (CAS 864754-08-5)
- 4-Chloro-6-iodo-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine (CAS 1404299-81-5)
- N,N-Dimethyl-N-(2-(undec-10-enamido)ethyl)pentan-1-aminium bromide (CAS 1101602-48-5)
- Semaglutide Impurity 21(HO-Ste-L-γGlu-AEEA-AEEA-OH) (CAS 1335440-44-2)
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