(1-(tert-butoxycarbonyl)-6-(trifluoromethyl)-1H-indol-2-yl)boronic acid CAS 875558-27-3
| CAS No. | 875558-27-3 |
| Molecular Formula | C14H15BF3NO4 |
| Molecular Weight | 329.08 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of (1-(tert-butoxycarbonyl)-6-(trifluoromethyl)-1H-indol-2-yl)boronic acid is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
(1-(tert-butoxycarbonyl)-6-(trifluoromethyl)-1H-indol-2-yl)boronic acid (CAS 875558-27-3) is a high-purity analytical reference standard with the molecular formula C14H15BF3NO4 and a molecular weight of 329.08 g/mol.
Structurally, (1-(tert-butoxycarbonyl)-6-(trifluoromethyl)-1H-indol-2-yl)boronic acid (C14H15BF3NO4) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.5, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 329.08 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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.
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 | C14H15BF3NO4 |
| Molecular Weight | 329.08 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| 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) | 6.5 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related tert Standards
- (1-(tert-Butoxycarbonyl)-5-(trifluoromethyl)-1H-indol-2-yl)boronic acid (CAS 2304634-92-0)
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