3-(3-Chloro-4-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4-one CAS 899986-42-6
| CAS No. | 899986-42-6 |
| Molecular Formula | C18H17ClN2O2 |
| Molecular Weight | 328.79 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 328.79 g/mol gives 3-(3-Chloro-4-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4-one distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
3-(3-Chloro-4-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4-one (CAS 899986-42-6), molecular formula C18H17ClN2O2 and molecular weight 328.79 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 3-(3-Chloro-4-methylphenyl)-2-methyl-2,3,5,6-tetrahydro-4H-2,6-methanobenzo[g][1,3,5]oxadiazocin-4-one (C18H17ClN2O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 328.79 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C18H17ClN2O2 |
| Molecular Weight | 328.79 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) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 2 |
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Recommended Standards
- 3-((2-Chlorophenethyl)amino)-1-phenylpyrrolidine-2,5-dione (CAS 494853-47-3)
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- 2'-(4-Chlorophenyl)-3,4-dihydro-1H-spiro[naphthalene-2,5'-[1,3]dioxan]-1-one (CAS 338418-41-0)
- 1,3-Bis(1,1-dimethylethyl) 2-(2-chloro-3-pyridinyl)imidodicarbonate (CAS 749265-07-4)
- 2-(2-Oxoazepan-1-yl)isonicotinic acid (CAS 1782638-52-1)
- n-(2-Chlorobenzyl)-1-methoxypropan-2-amine (CAS 1019578-17-6)
- 1-(6-Bromo-5-methoxypyridin-2-yl)ethan-1-one (CAS 1226880-11-0)
- 2-Aminocyclohexanol (CAS 6850-38-0)
- 4-(Aminomethyl)-6-methylpyrimidin-2-amine (CAS 859628-54-9)
- Eltrombopag Impurity 36 (CAS 33696-00-3)
- N-Isopropyl-2,6-dimethoxy-5-(methylthio)pyrimidin-4-amine (CAS 89587-76-8)
- [4-bromo-5-(difluoromethoxy)-6-fluoro-2-naphthyl] 2,2-dimethylpropanoate (CAS 2763159-26-6)
- 2-((5H-[1,2,4]triazino[5,6-b]indol-3-yl)thio)acetohydrazide (CAS 189822-88-6)
- semaglutide (CAS 782487-28-9)
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