(4aR,6R,7R,8S,8aR)-6-Hydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diyl bis(2,2-Dichloroacetate) CAS 149403-65-6
| CAS No. | 149403-65-6 |
| Molecular Formula | C12H14Cl4O8 |
| Molecular Weight | 428.05 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(4aR,6R,7R,8S,8aR)-6-Hydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diyl bis(2,2-Dichloroacetate) (CAS 149403-65-6), molecular formula C12H14Cl4O8 and molecular weight 428.05 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (4aR,6R,7R,8S,8aR)-6-Hydroxy-2-methylhexahydropyrano[3,2-d][1,3]dioxine-7,8-diyl bis(2,2-Dichloroacetate) (C12H14Cl4O8) is characterized by a carboxylic acid group, a hydroxyl group, an ether linkage, chlorine substitution, an aromatic ring system. 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.
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 | C12H14Cl4O8 |
| Molecular Weight | 428.05 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°C), keep sealed and dry |
| 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) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1999 |
| Halogen Content | Cl-containing |
Recommended Standards
- 1,5-Diamino-2,6-dibromo-4,8-dihydroxyanthracene-9,10-dione (CAS 30787-41-8)
- Etoposide Impurity 25 (CAS CATO-C4X-202425)
- 1,5-Diamino-2,3-dibromo-4,8-dihydroxyanthracene-9,10-dione (CAS 31626-19-4)
- Etoposide Impurity 35 (CAS CATO-C4X-202435)
- 8H-Isoquinolino[4,3,2-de]phenanthridin-9-ium chloride (CAS 2244191-61-3)
- 3-methyldodecanoic acid (CAS 13490-36-3)
- 1-Phenoxy-4-(3,3,3-trifluoroprop-1-yn-1-yl)benzene (CAS 1227931-81-8)
- [3'-(Benzyloxy)[1,1'-biphenyl]-4-yl]acetonitrile (CAS 893737-84-3)
- 3-Hydroxy-4-methyl-1,3-thiazole-2-thione (CAS 49762-08-5)
- 5-Amino-1-(2-chlorobenzyl)-N-(furan-2-ylmethyl)-1H-1,2,3-triazole-4-carboxamide (CAS 899737-04-3)
- 3-Cyclopropoxy-5-methoxyisonicotinamide (CAS 1243451-50-4)
- 3-Amino-2-(o-tolyl)pyrido[2,3-d]pyrimidin-4(3H)-one (CAS 1363404-74-3)
- (Z)-3-(Benzylthio)acrylic acid (CAS 13831-02-2)
- Des-Tyr10-Tirzepatide (CAS CATO-CPTD788680)
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