Methyl 4-oxo-4,9-dihydro-3H-pyrimido[4,5-b]indole-7-carboxylate CAS 1096471-96-3
| CAS No. | 1096471-96-3 |
| Molecular Formula | C12H9N3O3 |
| Molecular Weight | 243.22 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
CATO supplies Methyl 4-oxo-4,9-dihydro-3H-pyrimido[4,5-b]indole-7-carboxylate (CAS 1096471-96-3), a certified reference material (molecular formula C12H9N3O3, MW 243.22 g/mol) for analytical method development and quality control.
The molecular framework of Methyl 4-oxo-4,9-dihydro-3H-pyrimido[4,5-b]indole-7-carboxylate (C12H9N3O3) is characterized by an amino-acid-derived structure, 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. The presence of an aromatic ring or conjugated system gives the compound characteristic absorption bands in the UV-Vis region, making it well suited to UV or diode-array detection (DAD).
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 | C12H9N3O3 |
| Molecular Weight | 243.22 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1989 |
| Nitrogen Atoms | 3 |
Recommended Standards
- 2-Methyl-3-oxo-2,3-dihydro-1H-pyrazolo[4,3-c]quinoline-8-carboxylic acid (CAS 1083202-30-5)
- (S)-4-(Methylthio)-2-((phosphonomethyl)amino)butanoic acid (CAS 109739-03-9)
- 3-(3-Methoxyphenyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol (CAS 1082528-78-6)
- 2-(3-Nitro-phenylamino)-pyridine-3-carbaldehyde (CAS 113169-20-3)
- Methyl 5-(((2,3-dihydro-1h-inden-5-yl)oxy)methyl)furan-2-carboxylate (CAS 402737-26-2)
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