2-tert-Butyl-9-hydroxy-7,8-dihydro-5H-1,4,6,9a-tetraaza-cyclopenta[b]naphthalene-6-carboxylic acid tert-butyl ester CAS 1229624-56-9
| CAS No. | 1229624-56-9 |
| Molecular Formula | C18H26N4O3 |
| Molecular Weight | 346.42 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of 2-tert-Butyl-9-hydroxy-7,8-dihydro-5H-1,4,6,9a-tetraaza-cyclopenta[b]naphthalene-6-carboxylic acid tert-butyl ester is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
2-tert-Butyl-9-hydroxy-7,8-dihydro-5H-1,4,6,9a-tetraaza-cyclopenta[b]naphthalene-6-carboxylic acid tert-butyl ester (CAS 1229624-56-9), molecular formula C18H26N4O3 and molecular weight 346.42 g/mol, is a CATO reference standard with documented purity and traceability.
Structurally, 2-tert-Butyl-9-hydroxy-7,8-dihydro-5H-1,4,6,9a-tetraaza-cyclopenta[b]naphthalene-6-carboxylic acid tert-butyl ester (C18H26N4O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 8.0, corresponding to approximately 8 ring(s) or double-bond equivalent(s). With a molecular weight of 346.42 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).
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 | C18H26N4O3 |
| Molecular Weight | 346.42 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) | 8.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1990 |
| Nitrogen Atoms | 4 |
Recommended Standards
- 2-(2-(Heptyloxy)quinolin-6-yl)-2-nitropropan-1-ol (CAS 1225230-03-4)
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