n-((e)-3-(1-((2r,3r,4s,5r)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)allyl)-2,2,2-trifluoroacetamide CAS 869222-68-4
| CAS No. | 869222-68-4 |
| Molecular Formula | C14H16F3N3O7 |
| Molecular Weight | 395.29 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
CATO supplies n-((e)-3-(1-((2r,3r,4s,5r)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)allyl)-2,2,2-trifluoroacetamide (CAS 869222-68-4), a certified reference material (molecular formula C14H16F3N3O7, MW 395.29 g/mol) for analytical method development and quality control.
n-((e)-3-(1-((2r,3r,4s,5r)-3,4-Dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)allyl)-2,2,2-trifluoroacetamide (C14H16F3N3O7) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine substitution. It is notably hygroscopic, halogen substitution raises its density and boiling point, the carboxyl group imparts weak acidity; these physicochemical properties determine the optimal preparation and storage of its standard solutions. 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 | C14H16F3N3O7 |
| Molecular Weight | 395.29 g/mol |
| Appearance | Off-white to pale yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 7.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 1987 |
| Halogen Content | F-containing |
| Nitrogen Atoms | 3 |
Recommended Standards
- 2-Ethylbutyl 4-(2-bromophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate (CAS 300360-02-5)
- N-(4-(5-Bromothiophen-2-yl)thiazol-2-yl)-3-methoxybenzamide (CAS 391229-46-2)
- 2,3-Dibenzyl-5-bromobenzoic Acid Methyl Ester (CAS 182676-91-1)
- tert-Butyl phenyl(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)carbamate (CAS 1218791-29-7)
- Taranabant racemate (CAS 701977-00-6)
- Ioxaglic acid impurity A CRS (CAS 22871-58-5)
- Ethyl 6-methylheptanoate (CAS 62337-58-0)
- 1-(2,3-Dichlorophenyl)-N-methylmethanamine (CAS 731827-07-9)
- 1-Bromo-2-(4-fluorophenoxy)benzene (CAS 1055987-64-8)
- (3-Chloropropyl)(methyl)diphenylsilane (CAS 2632-97-5)
- 1-(3-Bromophenyl)-2-methylcyclobutane-1-carboxylic acid (CAS 1537320-72-1)
- 2-((5-(4-Fluorophenyl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazol-3-yl)thio)acetic acid (CAS 741731-81-7)
- 6,7-Dichloro-2-(4-ethoxyphenoxy)-3-(trifluoromethyl)quinoxaline (CAS 478039-36-0)
- D-Ile12-Tirzepatide (CAS CATO-CPTD788921)
Why CATO?
- ISO 17034 accredited reference material producer (CNAS + ANAB dual accreditation)
- 130,000+ catalog items in stock, COA supplied with every batch
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- Technical support: +86 18665070610 / Nicole.chen@cato-chem.com