(3S,4R)-3-ethynyl-3-hydroxy-1,4-dimethyl-pyrrolidin-2-one CAS 2561461-50-3
| CAS No. | 2561461-50-3 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.18 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.
(3S,4R)-3-ethynyl-3-hydroxy-1,4-dimethyl-pyrrolidin-2-one (CAS 2561461-50-3), molecular formula C8H11NO2 and molecular weight 153.18 g/mol, is a CATO reference standard with documented purity and traceability.
The molecular framework of (3S,4R)-3-ethynyl-3-hydroxy-1,4-dimethyl-pyrrolidin-2-one (C8H11NO2) is characterized by an amino-acid-derived structure, an amide group, a hydroxyl group, an ether linkage. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, 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.
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 | C8H11NO2 |
| Molecular Weight | 153.18 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (faint amine-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light |
| Degree of Unsaturation (DBE) | 4.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2001 |
| Nitrogen Atoms | 1 |
Recommended Standards
- (3R,5S)-3-ethynyl-3-hydroxy-1,5-dimethyl-pyrrolidin-2-one (CAS 2561460-98-6)
- (3S,4S)-3-ethynyl-3-hydroxy-1,4-dimethyl-pyrrolidin-2-one (CAS 2561461-49-0)
- (3R,5R)-3-ethynyl-3-hydroxy-1,5-dimethyl-pyrrolidin-2-one (CAS 2561460-96-4)
- (3S,5R)-3-ethynyl-3-hydroxy-1,5-dimethyl-pyrrolidin-2-one (CAS 2561461-00-3)
- N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiuronium hexafluorophosphate (CAS 212333-72-7)
- 2-Amino-4-nitrobenzamide (CAS 31930-18-4)
- 2-Methylthieno[2,3-d]pyrimidine (CAS 56844-01-0)
- 5-Acetamido-2,4,6-triiodoisophthaloyl Dichloride (CAS 31122-75-5)
- methyl 3-amino-8-iodo-naphthalene-1-carboxylate (CAS 2387597-62-6)
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- 2-Chloro-N-(2-chloropyrimidin-5-yl)acetamide (CAS 856976-11-9)
- N-Ethyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine (CAS 1352524-63-0)
- Tirzepatide(sodium salt) (CAS 2023788-19-2(free base))
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