3-{9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-10-yl}benzoic acid CAS 899213-29-7
| CAS No. | 899213-29-7 |
| Molecular Formula | C18H16N2O4 |
| Molecular Weight | 324.33 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The molecular framework of 3-{9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-10-yl}benzoic acid (C18H16N2O4) is characterized by a flavonoid core, an amide group, a hydroxyl group, an ether linkage. 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.
3-{9-methyl-11-oxo-8-oxa-10,12-diazatricyclo[7.3.1.0,2,7]trideca-2,4,6-trien-10-yl}benzoic acid (CAS 899213-29-7) is a high-purity analytical reference standard with the molecular formula C18H16N2O4 and a molecular weight of 324.33 g/mol.
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 | C18H16N2O4 |
| Molecular Weight | 324.33 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 | 2 |
Recommended Standards
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