tert-Butyl 2-bromophenethylcarbamate CAS 171663-06-2
| CAS No. | 171663-06-2 |
| Molecular Formula | C13H18BrNO2 |
| Molecular Weight | 300.19 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
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.
tert-Butyl 2-bromophenethylcarbamate (CAS 171663-06-2), molecular formula C13H18BrNO2 and molecular weight 300.19 g/mol, is a CATO reference standard with documented purity and traceability.
Based on its molecular formula C13H18BrNO2, tert-Butyl 2-bromophenethylcarbamate contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, bromine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 300.19 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
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.
Physical & Chemical Properties
| Molecular Formula | C13H18BrNO2 |
| Molecular Weight | 300.19 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store at 2-8°C, protect from light |
| Solubility (reference) | Soluble in chloroform, dichloromethane, ethyl acetate, DMSO |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2006 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 1 |
Recommended Standards
- (4-Bromomethyl-phenyl)-methyl-carbamic acid tert-butyl ester (CAS 168830-93-1)
- (R)-(1-(2-(4-bromophenoxy)ethyl)pyrrolidin-2-yl)methanol (CAS 1786797-27-0)
- Benzyl (5-bromopentyl)carbamate (CAS 161533-09-1)
- (S)-(1-(2-(4-bromophenoxy)ethyl)pyrrolidin-2-yl)methanol (CAS 1786997-54-3)
- 2-Cyclopropyl-1-phenylethan-1-one (CAS 6739-22-6)
- 6,7-Difluoroquinolin-4-ol (CAS 1215770-40-3)
- (5-Cyclopropoxy-3-ethylpyridin-2-yl)methanamine (CAS 1243361-02-5)
- 2-Amino-1-(4-chlorophenyl)propan-1-ol (CAS 23933-83-7)
- Macitentan Impurity 7 (CAS 1433875-21-8)
- Methyl 5-chloropyrazolo[1,5-a]pyridine-3-carboxylate (CAS 1825395-08-1)
- N-(4-Chlorophenyl)-3-nitrobenzamide (CAS 99514-24-6)
- (S)-2-Aminosuccinic acid hydrochloride (CAS 17585-59-0)
- N-(5-Amino-2-methoxyphenyl)-2-ethoxyacetamide (CAS 954564-45-5)
- Insulin Degludec Impurity 13 (CAS CATO-C4X-215713)
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