(3-((5-Bromo-2-chloro-4-pyrimidinyl)amino)propyl)-carbamic acid tert-butyl ester CAS 1046784-89-7
| CAS No. | 1046784-89-7 |
| Molecular Formula | C12H18BrClN4O2 |
| Molecular Weight | 365.65 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
(3-((5-Bromo-2-chloro-4-pyrimidinyl)amino)propyl)-carbamic acid tert-butyl ester (CAS 1046784-89-7) is a high-purity analytical reference standard with the molecular formula C12H18BrClN4O2 and a molecular weight of 365.65 g/mol.
Structurally, (3-((5-Bromo-2-chloro-4-pyrimidinyl)amino)propyl)-carbamic acid tert-butyl ester (C12H18BrClN4O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine/bromine substitution. The molecule exhibits a degree of unsaturation (DBE) of 5.0, corresponding to approximately 5 ring(s) or double-bond equivalent(s). With a molecular weight of 365.65 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), (3-((5-Bromo-2-chloro-4-pyrimidinyl)amino)propyl)-carbamic acid tert-butyl ester 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 | C12H18BrClN4O2 |
| Molecular Weight | 365.65 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 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) | 5.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1988 |
| Halogen Content | Cl/Br-containing |
| Nitrogen Atoms | 4 |
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Recommended Standards
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- 5-Amino-1-benzofuran-2-carboxylic acid (CAS 42933-44-8)
- 1-(2,6-Dimethylphenyl)-1h-pyrrole-2-carbaldehyde (CAS 30186-42-6)
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- N-(2,4-Dimethoxyphenyl)-4-methylbenzamide (CAS 329938-64-9)
- Tirzepatide Impurity 22 X TFA Salt (CAS CATO-C4X-324022)
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