2-Trifluoromethylsulfanylmethylpyrrolidine-1-carboxylicacid tert-butyl ester CAS 1206523-85-4
| CAS No. | 1206523-85-4 |
| Molecular Formula | C11H18F3NO2S |
| Molecular Weight | 285.33 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.
2-Trifluoromethylsulfanylmethylpyrrolidine-1-carboxylicacid tert-butyl ester (CAS 1206523-85-4) is a high-purity analytical reference standard with the molecular formula C11H18F3NO2S and a molecular weight of 285.33 g/mol.
Structurally, 2-Trifluoromethylsulfanylmethylpyrrolidine-1-carboxylicacid tert-butyl ester (C11H18F3NO2S) contains an amide group, a sulfone group, a carboxylic acid group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 2.0, corresponding to approximately 2 ring(s) or double-bond equivalent(s). With a molecular weight of 285.33 g/mol, it falls into the medium-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 | C11H18F3NO2S |
| Molecular Weight | 285.33 g/mol |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep tightly closed to prevent evaporation |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 2.0 |
| CAS Registry Year (est.) | 1990 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
| Sulfur Atoms | 1 |
Recommended Standards
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