Ethyl 2-(4-(3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl)-2-oxoacetate CAS 920228-12-2
| CAS No. | 920228-12-2 |
| Molecular Formula | C18H18FN7O3 |
| Molecular Weight | 399.38 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
The occurrence of Ethyl 2-(4-(3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl)-2-oxoacetate is closely related to a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.
Ethyl 2-(4-(3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl)-2-oxoacetate (CAS 920228-12-2) is a high-purity analytical reference standard with the molecular formula C18H18FN7O3 and a molecular weight of 399.38 g/mol.
Structurally, Ethyl 2-(4-(3-(3-fluorophenyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-yl)piperazin-1-yl)-2-oxoacetate (C18H18FN7O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. 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 399.38 g/mol, it falls into the moderately-high-molecular-weight range. 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).
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 | C18H18FN7O3 |
| Molecular Weight | 399.38 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor) |
| 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; Contains ester bond; hydrolyzes under strong alkaline conditions |
| Degree of Unsaturation (DBE) | 13.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 7 |
Related Ethyl Standards
- N-(3-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]acetamide (CAS 1775345-40-8)
- N-(4-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]acetamide (CAS 1775402-77-1)
- N-(2-Fluorophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)-1,3-dioxo-1H,2H,3H,5H,6H,7H,8H-pyrido[1,2-c]pyrimidin-2-yl]acetamide (CAS 1775503-49-5)
- 2-(4-Fluorophenyl)-4-((4-fluorophenyl)sulfonyl)-5-(methylsulfonyl)oxazole (CAS 891021-34-4)
- 2-[(4-Fluorophenyl)sulfanyl]-3-[3-(trifluoromethyl)phenyl]quinoline (CAS 339103-51-4)
- 4-(2-Fluorophenyl)-N-[4-(trifluoromethoxy)phenyl]tetrahydro-1(2H)-pyrazinecarbothioamide (CAS 497060-20-5)
- 3-((4-Fluorophenyl)sulfonyl)-N-(2-(phenylsulfonyl)ethyl)propanamide (CAS 337923-49-6)
- 2-{4-[(4-Fluorophenyl)sulfonyl]piperazino}-4,8-dimethylquinoline (CAS 478081-69-5)
Recommended Standards
- 4-Fluoro-N-((5-((4-fluorophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methyl)aniline (CAS 400082-04-4)
- Cefuroxime Open-ring Impurity 47 (CAS CATO-C4X-124547)
- 3,5-Bis((4-chlorobenzyl)thio)-1,2,4-thiadiazole (CAS 330551-83-2)
- Capmatinib Impurity 5 (CAS 1029714-88-2)
- 2,2'-(5'-(4-(Cyanomethyl)phenyl)-[1,1':3',1''-terphenyl]-4,4''-diyl)diacetonitrile (CAS 2311888-44-3)
- 1-Phenyl-4-(piperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidine (CAS 245449-98-3)
- [1,3]thiazolo[4,5-b]quinolin-2-amine (CAS 114400-97-4)
- 5H,6H,6aH,7H,8H,9H,10H-pyrido[1,2-a]quinoxaline (CAS 338949-36-3)
- 4,4'-(Naphthalene-1,4-diyl)bis(1-(4-isopropylphenyl)pyridin-1-ium)chloride (CAS 2380279-77-4)
- 2-Chloro-3-fluoro-4-nitrophenol (CAS 1632444-57-5)
- 1-(1H-indazol-4-yl)propan-2-amine (CAS 1379970-67-8)
- 7-(Aminomethyl)-2H-benzo[b][1,4]thiazin-3(4H)-one (CAS 1889489-30-8)
- 2-methoxy-4,6-dimethylpyrimidin-5-ol (CAS 345642-89-9)
- Tirzepatide Impurity 46 (CAS CATO-C4X-324046)
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