3a,4,5,6,7,8,9,9a-Octahydro-cycloocta[d]isoxazole-3-carboxylic acid methyl ester CAS 30645-78-4
| CAS No. | 30645-78-4 |
| Molecular Formula | C11H8ClNO3 |
| Molecular Weight | 237.64 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 3a,4,5,6,7,8,9,9a-Octahydro-cycloocta[d]isoxazole-3-carboxylic acid methyl ester.
3a,4,5,6,7,8,9,9a-Octahydro-cycloocta[d]isoxazole-3-carboxylic acid methyl ester (CAS 30645-78-4), molecular formula C11H8ClNO3 and molecular weight 237.64 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of 3a,4,5,6,7,8,9,9a-Octahydro-cycloocta[d]isoxazole-3-carboxylic acid methyl ester (C11H8ClNO3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by its high hydrophobicity (logP), which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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 | C11H8ClNO3 |
| Molecular Weight | 237.64 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, keep tightly closed to prevent evaporation |
| 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1965 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
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