(S)-4-(5-Bromo-2-cyanophenyl)-1-(tert-butoxy-carbonyl)piperazine-2-carboxylic acid CAS 1787344-46-0
| CAS No. | 1787344-46-0 |
| Molecular Formula | C17H20BrN3O4 |
| Molecular Weight | 410.26 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.
(S)-4-(5-Bromo-2-cyanophenyl)-1-(tert-butoxy-carbonyl)piperazine-2-carboxylic acid (CAS 1787344-46-0) is a high-purity analytical reference standard with the molecular formula C17H20BrN3O4 and a molecular weight of 410.26 g/mol.
Based on its molecular formula C17H20BrN3O4, (S)-4-(5-Bromo-2-cyanophenyl)-1-(tert-butoxy-carbonyl)piperazine-2-carboxylic acid contains a flavonoid core, 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 410.26 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
As a certified reference material (CRM), (S)-4-(5-Bromo-2-cyanophenyl)-1-(tert-butoxy-carbonyl)piperazine-2-carboxylic acid meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
Physical & Chemical Properties
| Molecular Formula | C17H20BrN3O4 |
| Molecular Weight | 410.26 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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) | 9.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1994 |
| Halogen Content | Br-containing |
| Nitrogen Atoms | 3 |
Related S Standards
- Methyl 4-(2-bromo-4-fluorophenyl)-6-methyl-2-(thiazol-2-yl)-1,4-dihydropyrimidine-5-carboxylate (CAS 1092952-99-2)
- (S)-4-(2-Bromo-4-cyanophenyl)-1-(tert-butoxy-carbonyl)piperazine-2-carboxylic acid (CAS 1786489-53-9)
- (S)-4-(2-Bromo-6-cyanophenyl)-1-(tert-butoxy-carbonyl)piperazine-2-carboxylic acid (CAS 1786944-70-4)
- (S)-4-(4-Bromo-2-cyanophenyl)-1-(tert-butoxy-carbonyl)piperazine-2-carboxylic acid (CAS 1787091-85-3)
- (S)-4-(3-Bromo-4-cyanophenyl)-1-(tert-butoxy-carbonyl)piperazine-2-carboxylic acid (CAS 1787141-29-0)
- (S)-4-(3-Bromo-2-cyanophenyl)-1-(tert-butoxy-carbonyl)piperazine-2-carboxylic acid (CAS 1787182-48-2)
- (S)-4-(4-Bromo-3-cyanophenyl)-1-(tert-butoxy-carbonyl)piperazine-2-carboxylic acid (CAS 1787396-88-6)
- 1-Bromo-3-(bromomethyl)-5-chloro-2-iodobenzene (CAS 213771-04-1)
Recommended Standards
- 1-[(4-Bromophenyl)methoxy]-2-(4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine (CAS 339027-61-1)
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- 2-Amino-6-(4-bromophenyl)-4-(3,4-dimethoxyphenyl)nicotinonitrile (CAS 331981-00-1)
- 2-Amino-6-(4-bromophenyl)-4-(3-ethoxy-4-hydroxyphenyl)nicotinonitrile (CAS 333341-54-1)
- 4-Methoxyfuro[3,2-d]pyrimidine (CAS 1431412-17-7)
- 2,3-Dihydro[1,4]dioxino[2,3-c]pyridine-7-carboxylic acid hydrochloride (CAS 2169997-52-6)
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- Methyl 2-(3,6-dioxopiperazin-2-yl)acetate (CAS 114417-85-5)
- Ethyl 3,5-dimethyl-1-(5-(3-phenylureido)pyridin-2-yl)-1H-pyrazole-4-carboxylate (CAS 477712-89-3)
- 3-(4-(1H-imidazol-1-yl)phenyl)-N-(tert-butyl)-1H-pyrazole-1-carboxamide (CAS 321385-63-1)
- 5-Bromo-6-chloro-1,3-dihydro-2H-pyrrolo[3,2-b]pyridin-2-one (CAS 1642565-61-4)
- 1-(3,5-Dimethylphenyl)cyclobutane-1-carboxylic acid (CAS 926223-33-8)
- 4-Cyclopropylpyrimidine-5-carboxylic acid (CAS 954232-79-2)
- Palmitoyl Tripeptide-8 TFA salt (CAS 936544-53-5)
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