Ethyl 1-benzyl-3-(2,2-difluoroethyl)-4-oxopiperidine-3-carboxylate CAS 864685-19-8
| CAS No. | 864685-19-8 |
| Molecular Formula | C17H21F2NO3 |
| Molecular Weight | 325.35 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 Ethyl 1-benzyl-3-(2,2-difluoroethyl)-4-oxopiperidine-3-carboxylate.
Ethyl 1-benzyl-3-(2,2-difluoroethyl)-4-oxopiperidine-3-carboxylate (CAS 864685-19-8), molecular formula C17H21F2NO3 and molecular weight 325.35 g/mol, is a CATO reference standard with documented purity and traceability.
Ethyl 1-benzyl-3-(2,2-difluoroethyl)-4-oxopiperidine-3-carboxylate (C17H21F2NO3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine 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. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C17H21F2NO3 |
| Molecular Weight | 325.35 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- 4-Methyl-2-(methylthio)-7-(4-(trifluoromethyl)phenyl)-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine (CAS 338402-31-6)
- Methyl (S)-3-(4,4-difluorocyclohexane-1-carboxamido)-3-phenylpropanoate (CAS 948592-19-6)
- 4-(((3-(Pyridin-2-yl)-5-thioxo-1H-1,2,4-triazol-4(5H)-yl)imino)methyl)benzoic acid (CAS 733031-78-2)
- N,N-diisopropyl-4-(trifluoromethoxy)benzenesulfonamide (CAS 1993322-94-3)
- 3-(4-(tert-Butoxy)phenyl)-3-((tert-butoxycarbonyl)amino)propanoic acid (CAS 372144-20-2)
- Purpureaglycoside A CRS (CAS 19855-40-4)
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- 3-(6-Methyl-4,8-dioxo-1,3,6,2-dioxazaborocan-2-yl)benzaldehyde (CAS 1257642-72-0)
- 3-amino-2-(2-chlorophenyl)-1,1,1-trifluoropropan-2-ol hydrochloride (CAS 1221726-05-1)
- 2-(1,1-Dioxido-2-phenyl-6-(p-tolyl)-4H-thiopyran-4-ylidene)malononitrile (CAS 135215-38-2)
- 1-(2-Bromoethoxy)-4-(2,2,2-trifluoroethoxy)benzene (CAS 189876-55-9)
- 2-(Chloromethoxy)-6-fluorobenzonitrile (CAS 1511242-74-2)
- Tert-butyl 2-benzyl-1-oxo-2,5-diazaspiro[3.5]Nonane-5-carboxylate (CAS 1206969-85-8)
- Liraglutide Impurity 14 TFA Salt (CAS CATO-C4X-199214)
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