tert-Butyl 4-(((6-chloropyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate CAS 939986-79-5
| CAS No. | 939986-79-5 |
| Molecular Formula | C15H23ClN4O2 |
| Molecular Weight | 326.82 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 4-(((6-chloropyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate (CAS 939986-79-5), molecular formula C15H23ClN4O2 and molecular weight 326.82 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, tert-Butyl 4-(((6-chloropyrimidin-4-yl)amino)methyl)piperidine-1-carboxylate (C15H23ClN4O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 6.0, corresponding to approximately 6 ring(s) or double-bond equivalent(s). With a molecular weight of 326.82 g/mol, it falls into the moderately-high-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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
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 | C15H23ClN4O2 |
| Molecular Weight | 326.82 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, 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) | 6.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 4 |
Recommended Standards
- tert-Butyl 4-(((6-chloropyridazin-3-yl)amino)methyl)piperidine-1-carboxylate (CAS 544696-24-4)
- tert-Butyl 4-((6-chloropyridin-3-yl)methoxy)piperidine-1-carboxylate (CAS 939986-38-6)
- tert-Butyl 3-((6-chloropyridin-3-yl)methoxy)piperidine-1-carboxylate (CAS 939986-93-3)
- 951886-81-0 Ethyl 8-(5-Chloro-2-methoxyphenyl)-8-oxooctanoate MFCD09801933 (CAS 951886-81-0)
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- 3-(5-bromo-1-oxo-isoindolin-2-yl)-3-methyl-piperidine-2,6-dione (CAS 1158265-53-2)
- Semaglutide Impurity 164 (CAS CATO-C4X-2226164)
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