Isopropyl 2-amino-7-methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-4H,5H-pyrano[4,3-b]pyran-3-carboxylate CAS 625373-02-6
| CAS No. | 625373-02-6 |
| Molecular Formula | C20H18F3NO5 |
| Molecular Weight | 409.36 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.
Isopropyl 2-amino-7-methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-4H,5H-pyrano[4,3-b]pyran-3-carboxylate (CAS 625373-02-6) is a high-purity analytical reference standard with the molecular formula C20H18F3NO5 and a molecular weight of 409.36 g/mol.
Structurally, Isopropyl 2-amino-7-methyl-5-oxo-4-(3-(trifluoromethyl)phenyl)-4H,5H-pyrano[4,3-b]pyran-3-carboxylate (C20H18F3NO5) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 409.36 g/mol, it falls into the moderately-high-molecular-weight range. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C20H18F3NO5 |
| Molecular Weight | 409.36 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| Purity | 97%+ |
| Storage | Store at room temperature, protect from light, keep sealed and dry |
| Solubility (reference) | Soluble in methanol, acetonitrile, DMSO, water (slightly soluble) |
| Stability | May oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 11.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1985 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 1 |
Related Isopropyl Standards
- Isopropyl 2-amino-7-methyl-5-oxo-4-(4-(trifluoromethyl)phenyl)-4H,5H-pyrano[4,3-b]pyran-3-carboxylate (CAS 625375-46-4)
- 3,5-Bis(isopropyl)phenyl Diphenyl Phosphate (CAS 113765-39-2)
- 3,4-Bis(isopropyl)phenyl Diphenyl Phosphate (CAS 68155-51-1)
- N-(1-isopropyl-5,6-dimethyl-1H-benzo[d]imidazol-4-yl)-3-(trifluoromethyl)benzenesulfonamide (CAS 338423-29-3)
- N-(Isopropyl(phenyl)-l4-sulfanylidene)-4-methylbenzenesulfonamide (CAS 18922-56-0)
- Isopropyl 4-(2,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 299449-78-8)
- Isopropyl 4-(3,4-dimethoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 299449-79-9)
- 1-(4-Isopropyl-3-methylphenyl)-5-oxo-N-(4-(trifluoromethyl)phenyl)pyrrolidine-3-carboxamide (CAS 866153-50-6)
Recommended Standards
- 7-(3,4-Dichlorophenyl)-7-methyl-3-phenyltetrahydro-5H-imidazo[1,5-b][1,2,4]triazole-2,5(3H)-dithione (CAS 400084-41-5)
- 4-Oxo-N-phenyl-3-[3-(trifluoromethyl)phenyl]-3,4-dihydrophthalazine-1-carboxamide (CAS 338975-91-0)
- Medroxyprogesterone Acetate Impurity 7 (CAS 28018-91-9)
- 3,7-Bis(4-chlorophenyl)-7-methyltetrahydro-5H-imidazo[1,5-b][1,2,4]triazole-2,5(3H)-dithione (CAS 400084-40-4)
- 5-Mercaptonicotinic acid (CAS 24242-21-5)
- n-(4-Hydroxycyclohexyl)cyclobutanecarboxamide (CAS 1090812-91-1)
- 6-Chloro-3-(3-(trifluoromethyl)phenyl)imidazo[1,2-b]pyridazine (CAS 928336-97-4)
- 4-(2-Fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CAS 1008692-11-2)
- 2-Formyl-4-(trifluoromethyl)thiazole-5-carboxylic acid (CAS 1411763-97-7)
- (3Ar,5r,6s,6ar)-2,2-Dimethyl-5-{[(2s)-2-phenylpyrrolidin-1-yl]methyl}-tetrahydro-2h-furo[2,3-d][1,3]dioxol-6-ol (CAS 1014404-87-5)
- Methyl[5-(3-phenyl-1,2-oxazol-5-yl)pentyl]amine hydrochloride (CAS 1240526-08-2)
- [1-(2-Chlorophenyl)cyclopropyl]methanol (CAS 886366-24-1)
- 2-(Benzo[d]thiazol-2-yl(methyl)amino)-N-(thiophen-2-ylmethyl)acetamide (CAS 1351611-67-0)
- Insulin aspart (CAS 116094-23-6)
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