1'-Benzyl-5-chloro-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one CAS 644969-37-9
| CAS No. | 644969-37-9 |
| Molecular Formula | C19H18ClNO2 |
| Molecular Weight | 327.80 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.
1'-Benzyl-5-chloro-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one (CAS 644969-37-9) is a high-purity analytical reference standard with the molecular formula C19H18ClNO2 and a molecular weight of 327.80 g/mol.
1'-Benzyl-5-chloro-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one (C19H18ClNO2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. Halogen substitution raises its density and boiling point, its high carbon-to-hydrogen ratio confers good lipid solubility, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), 1'-Benzyl-5-chloro-3H-spiro[isobenzofuran-1,4'-piperidin]-3-one 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 | C19H18ClNO2 |
| Molecular Weight | 327.80 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; 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.) | 1985 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 1 |
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Recommended Standards
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- Ethyl 6-(cyano(phenyl)methyl)picolinate (CAS 1379526-97-2)
- 5-bromo-3-ethynyl-pyrazin-2-amine (CAS 1209289-08-6)
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- 2-Fluoro-n-phenylbenzene-1-sulfonamide (CAS 30058-41-4)
- 4-Bromo-3-methyl-1,2-thiazole-5-carboxylic acid (CAS 89284-01-5)
- [y-Glu3]-Semaglutide Impurity 135 (CAS CATO-C4X-2226135)
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