Tert-butyl 4-(5-cyano-[2,2'-bipyridin]-6-yl)-1,4-diazepane-1-carboxylate CAS 946386-00-1
| CAS No. | 946386-00-1 |
| Molecular Formula | C21H25N5O2 |
| Molecular Weight | 379.46 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Tert-butyl 4-(5-cyano-[2,2'-bipyridin]-6-yl)-1,4-diazepane-1-carboxylate (C21H25N5O2) contains a steroid core, an amide group, a hydroxyl group, an ether linkage. It is notably hygroscopic, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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-cyano-[2,2'-bipyridin]-6-yl)-1,4-diazepane-1-carboxylate (CAS 946386-00-1), molecular formula C21H25N5O2 and molecular weight 379.46 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 | C21H25N5O2 |
| Molecular Weight | 379.46 g/mol |
| Appearance | Pale yellow to yellow crystalline powder |
| 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 |
| Degree of Unsaturation (DBE) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Nitrogen Atoms | 5 |
Recommended Standards
- N-Cyclopentyl-2-imino-1-isopropyl-10-methyl-5-oxo-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide (CAS 607386-03-8)
- tert-Butyl 4-{5-cyano-[2,3'-bipyridin]-6-yl}-1,4-diazepane-1-carboxylate (CAS 946385-97-3)
- Itraconazole Impurity 25 (CAS 89848-19-1)
- Valsartan impurity 19 (CAS CATO-C4X-105719)
- N-[(Pyridin-2-yl)methyl]-4H-3,1-benzothiazin-2-amine (CAS 338396-04-6)
- 2-Chloro-4-(methoxymethoxy)phenol (CAS 400052-33-7)
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