Tert-butyl (((3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)methyl)carbamate CAS 168544-90-9
| CAS No. | 168544-90-9 |
| Molecular Formula | C11H19F3N2O2 |
| Molecular Weight | 268.28 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Tert-butyl (((3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)methyl)carbamate is closely related to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Tert-butyl (((3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)methyl)carbamate (CAS 168544-90-9), molecular formula C11H19F3N2O2 and molecular weight 268.28 g/mol, is a CATO reference standard with documented purity and traceability.
Owing to an amide group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution, Tert-butyl (((3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl)methyl)carbamate is typically white to off-white crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 268.28 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C11H19F3N2O2 |
| Molecular Weight | 268.28 g/mol |
| 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 DMSO, DMF, methanol |
| Stability | Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 2005 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- Tert-butyl 3-methyl-3-(trifluoromethyl)piperazine-1-carboxylate (CAS 1639964-00-3)
- 2-(2-((2-Fluorophenoxy)methyl)morpholino)acetamide (CAS 1706449-56-0)
- tert-Butyl N-[(3S,5R)-5-(trifluoromethyl)piperidin-3-yl]carbamate (CAS 1620012-51-2)
- 2-(2-((3-Fluorophenoxy)methyl)morpholino)acetamide (CAS 1706456-35-0)
- 4-(Phenoxymethyl)benzoic Acid (CAS 31719-76-3)
- 4,4,4,4′,4′,4′-Hexafluoro-<SC>DL</SC>-valine (CAS 16063-80-2)
- Methyl 4-oxo-4H-pyrimido[1,2-a]pyrimidine-2-carboxylate (CAS 118450-85-4)
- N-(2-MEthoxyethyl)-6-piperidin-4-ylnicotinamide dihydrochloride (CAS 1858250-13-1)
- 2-Chloro-6-cyclopropoxypyridine (CAS 1243279-27-7)
- Gefitinib Impurity 35 HCl (CAS CATO-C4X-111735)
- 5-Methylbenzo[b]thiophen-3(2H)-one (CAS 56639-88-4)
- 4-(3H-[1,2,3]Triazolo[4,5-b]pyridin-3-yl)benzoic acid (CAS 67482-10-4)
- 2-Amino-6-(difluoromethyl)-5-iodonicotinaldehyde (CAS 1803673-71-3)
- Neuroendocrine Regulatory Peptide-1 (rat) (CAS 954420-51-0)
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