Sodium 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-(3-(trifluoromethyl)phenyl)acetate CAS 2251053-10-6
| CAS No. | 2251053-10-6 |
| Molecular Formula | C18H22F3N2O4 |
| Molecular Weight | N/A |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
Sodium 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-(3-(trifluoromethyl)phenyl)acetate (CAS 2251053-10-6), molecular formula C18H22F3N2O4Na and molecular weight 410.37 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, Sodium 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-(3-(trifluoromethyl)phenyl)acetate (C18H22F3N2O4Na) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 7.5, corresponding to approximately 7 ring(s) or double-bond equivalent(s). With a molecular weight of 410.37 g/mol, it falls into the moderately-high-molecular-weight range. 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 | C18H22F3N2O4 Na |
| Molecular Weight | 410.37 g/mol |
| Appearance | Off-white to pale 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) | 7.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1998 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 2 |
Recommended Standards
- 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanamine (CAS 122416-41-5)
- N-methyl-4-(pyrrolidin-1-ylmethyl)tetrahydro-2H-pyran-4-amine (CAS 885951-12-2)
- 3-((2-Ethylbutyl)amino)thietane 1,1-dioxide (CAS 1876968-02-3)
- 4-(Difluoromethyl)-6-hydroxy-5-methylpicolinaldehyde (CAS 1804859-11-7)
- 3-(Aminomethyl)-5-nitrophenol (CAS 1261852-63-4)
- 1-(3,4-Difluoro-5-methoxyphenyl)-3-methylbutan-1-one (CAS 1443344-10-2)
- N-methylazetidine-3-carboxamide 2,2,2-trifluoroacetate (CAS 1361116-71-3)
- 2-(Piperazin-1-yl)phenol (CAS 1011-17-2)
- 5-Chloro-4-fluoro-3'-(trifluoromethyl)-[1,1'-biphenyl]-2-ol (CAS 1963448-86-3)
- Ac-(5-31)Semaglutide (CAS CATO-C4X-2226279)
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