(2S,5R)-tert-Butyl 2,5-dimethyl-4-(4-((perfluorophenoxy)carbonyl)-2-propylphenyl)piperazine-1-carboxylate CAS 1666111-64-3
| CAS No. | 1666111-64-3 |
| Molecular Formula | C27H31F5N2O4 |
| Molecular Weight | 542.54 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 542.54 g/mol gives (2S,5R)-tert-Butyl 2,5-dimethyl-4-(4-((perfluorophenoxy)carbonyl)-2-propylphenyl)piperazine-1-carboxylate distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
(2S,5R)-tert-Butyl 2,5-dimethyl-4-(4-((perfluorophenoxy)carbonyl)-2-propylphenyl)piperazine-1-carboxylate (CAS 1666111-64-3), molecular formula C27H31F5N2O4 and molecular weight 542.54 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, (2S,5R)-tert-Butyl 2,5-dimethyl-4-(4-((perfluorophenoxy)carbonyl)-2-propylphenyl)piperazine-1-carboxylate (C27H31F5N2O4) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine 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 542.54 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).
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 | C27H31F5N2O4 |
| Molecular Weight | 542.54 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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.) | 1993 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 2,9-Diphenylanthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone (CAS 128-65-4)
- Fmoc-D-Aph(Hor)-OH (CAS 2209043-45-6)
- Eravacycline Impurity 8 (CAS CATO-C4X-29388)
- Azilsartan Impurity 100 (CAS CATO-C4X-1096100)
- Trans-2-(4-(Dimethylamino)phenyl)thiazolidine-4-carboxylic acid (CAS 69578-21-8)
- (E)-3-((4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylene)pyrrolidine (CAS 2365173-80-2)
- 6-(4-Methylbenzyl)isothiazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione (CAS 1326942-95-3)
- 3-Mercapto-1-hexanol (CAS 51755-83-0)
- Ketoprofen Impurity 29 (CAS CATO-C4X-147129)
- 3-tert-Butoxycarbonylamino-3-(3-fluoro-4-methoxy-phenyl)-propionic acid (CAS 23589-06-2)
- 5-((2-Chlorophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbonitrile (CAS 318239-36-0)
- (R,Z)-2-Fluoro-3-(1-methylpyrrolidin-2-yl)acrylic acid (CAS 2577289-51-9)
- 1-(2-Chloroethyl)-4-(4-methoxyphenyl)piperazine (CAS 70957-94-7)
- Semaglutide impurity 95 (CAS CATO-C4X-222695)
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