tert-Butyl 4-(5-((chlorocarbonyl)amino)-1-methyl-1H-1,2,4-triazol-3-yl)piperazine-1-carboxylate CAS 1951441-30-7
| CAS No. | 1951441-30-7 |
| Molecular Formula | C13H21ClN6O3 |
| Molecular Weight | 344.80 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of tert-Butyl 4-(5-((chlorocarbonyl)amino)-1-methyl-1H-1,2,4-triazol-3-yl)piperazine-1-carboxylate (C13H21ClN6O3) is characterized by a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, chlorine substitution. In reversed-phase chromatography, its retention is governed primarily by the protonation state of its nitrogen-containing groups, which provides a practical basis for HPLC-UV/DAD or LC-MS method development. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
tert-Butyl 4-(5-((chlorocarbonyl)amino)-1-methyl-1H-1,2,4-triazol-3-yl)piperazine-1-carboxylate (CAS 1951441-30-7), molecular formula C13H21ClN6O3 and molecular weight 344.80 g/mol, is a CATO reference standard with documented purity and traceability.
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 | C13H21ClN6O3 |
| Molecular Weight | 344.80 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.) | 1996 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 6 |
Recommended Standards
- Ethyl 4-{[(4-chlorophenyl)methyl]amino}-1-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS 1221715-35-0)
- 2-Chloro-4-[4-(3-pyridinyl)phenyl]-6-phenyl-1,3,5-triazine (CAS 2074632-12-3)
- 4-Chloro-6-{4-[5-(furan-2-yl)-1H-pyrazol-3-yl]piperidin-1-yl}pyrimidin-2-amine (CAS 1026080-38-5)
- 7-(4-Chlorophenyl)-2-(o-tolyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile (CAS 860611-21-8)
- 2-Methoxy-N-(1-(pyridin-3-yl)ethyl)ethan-1-amine (CAS 1019604-00-2)
- 4-Nitro-1H-indazole hydrochloride (CAS 1881329-19-6)
- H-γ-Glu-4-Abz-OH (CAS 2643-70-1)
- 1-[(5E)-5-[(Furan-2-yl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]piperidine-4-carboxylic acid (CAS 866050-37-5)
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- 5-(3,3-Dimethylureido)naphthalene-1-sulfonyl chloride (CAS 728864-94-6)
- 4-Amino-N-methylpyrimidine-5-carboxamide (CAS 102818-44-0)
- [2-(butan-2-yloxy)phenyl]boronic acid (CAS 1313760-87-0)
- Neuropeptide Y (3-36) (porcine) trifluoroacetate salt (CAS 143863-88-1)
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