Methyl 4-(2-amino-3-cyano-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-4-yl)benzoate CAS 665000-35-1
| CAS No. | 665000-35-1 |
| Molecular Formula | C18H14N2O6 |
| Molecular Weight | 354.31 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Structurally, Methyl 4-(2-amino-3-cyano-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-4-yl)benzoate (C18H14N2O6) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 13.0, corresponding to approximately 13 ring(s) or double-bond equivalent(s). With a molecular weight of 354.31 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.
Methyl 4-(2-amino-3-cyano-6-(hydroxymethyl)-8-oxo-4,8-dihydropyrano[3,2-b]pyran-4-yl)benzoate (CAS 665000-35-1), molecular formula C18H14N2O6 and molecular weight 354.31 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 | C18H14N2O6 |
| Molecular Weight | 354.31 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) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Nitrogen Atoms | 2 |
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Recommended Standards
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- Apremilast impurity 93 (CAS 2733027-41-1)
- magnolioside (CAS 20186-29-2)
- 3-Fluoro-3'-methoxy-[1,1'-biphenyl]-4-amine (CAS 867287-99-8)
- 4-(Bromomethyl)-2-fluorobenzenesulfonamide (CAS 1645275-47-3)
- (9-Benzyl-9H-purin-6-yl)-phenylamine (CAS 27345-38-6)
- 2-(tert-Butoxy)pyridine (CAS 83766-88-5)
- 1,2-Dibromo-4,5-dimethoxybenzene (CAS 37895-73-1)
- 1-(Morpholin-4-yl)butan-2-amine (CAS 847798-58-7)
- Ethyl 2,4-dichlorobutanoate (CAS 77100-87-9)
- 4-Chloro-5-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7(8H)-one (CAS 1177447-31-2)
- 2-{10-oxa-4-azatricyclo[5.2.1.0²,⁶]decan-4-yl}ethan-1-amine (CAS 1201-21-4)
- Semaglutide impurity 277 (CAS CATO-C4X-2226277)
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