tert-Butyl 4-(((2-(acetoxymethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzoate CAS 289686-87-9
| CAS No. | 289686-87-9 |
| Molecular Formula | C27H28ClN3O5 |
| Molecular Weight | 509.98 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
tert-Butyl 4-(((2-(acetoxymethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzoate (CAS 289686-87-9) is a high-purity analytical reference standard with the molecular formula C27H28ClN3O5 and a molecular weight of 509.98 g/mol.
Based on its molecular formula C27H28ClN3O5, tert-Butyl 4-(((2-(acetoxymethyl)-7-chloro-3-methyl-4-oxo-3,4-dihydroquinazolin-6-yl)methyl)(prop-2-ynyl)amino)benzoate contains a steroid core, an amide group, a hydroxyl group, an ether linkage, chlorine substitution; these features give the compound characteristic absorption bands in UV spectroscopy. The molecular weight of 509.98 g/mol is directly relevant to the identification of the molecular ion in mass spectrometry. Halogen substitution (F/Cl/Br/I) produces a distinctive isotope pattern in mass spectrometry, a valuable aid for qualitative confirmation.
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 | C27H28ClN3O5 |
| Molecular Weight | 509.98 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| Purity | 97%+ |
| Storage | Store in a cool place (≤25°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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 15.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | Cl-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 3-Benzyl-5-((2-chloro-6-fluorobenzyl)thio)-8,9-dimethoxyimidazo[1,2-c]quinazolin-2(3H)-one (CAS 477768-53-9)
- rac cis-4-Hydroxy Glyburide (CAS 132054-81-0)
- 1,3-Bis(2,6-diisopropylphenyl)-2-(trichloromethyl)imidazolidine (CAS 465543-05-9)
- Glibenclamide trans-4-Hydroxycyclohexyl (CAS 23155-00-2)
- (S)-2-Amino-N-(1-benzylpyrrolidin-3-yl)-N-cyclopropylacetamide (CAS 1354001-88-9)
- 5-Methoxy-2-benzoxazolecarboxylic Acid (CAS 49559-68-4)
- (2-Phenyl-1H-indol-3-yl)methyl diethylcarbamodithioate (CAS 67416-82-4)
- 5-Methoxy-1H-benzo[d][1,3]oxazin-2(4H)-one (CAS 1780189-83-4)
- 3-Amino-2-oxo-3,4-dihydroquinolin-1(2H)-yl dimethylcarbamate hydrochloride (CAS 1258545-29-7)
- Leminoprazole (CAS 104340-86-5)
- 2-Isobutylquinazolin-4(1H)-one (CAS 88976-10-7)
- 2-chloro-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]propanamide (CAS 1016806-53-3)
- 6-(Trifluoromethoxy)-1,2,3,4-tetrahydroquinoline (CAS 212695-44-8)
- Acetyl Tetrapeptide- 15 (CAS 928007-64-1)
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