1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile CAS 338770-14-2
| CAS No. | 338770-14-2 |
| Molecular Formula | C14H11ClF3N5O2 |
| Molecular Weight | 373.72 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
As a certified reference material (CRM), 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile meets the metrological traceability requirements of ISO/IEC 17025 laboratories. Batch-to-batch consistency is monitored via control charts to guarantee comparable assigned values across lots.
1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (CAS 338770-14-2) is a high-purity analytical reference standard with the molecular formula C14H11ClF3N5O2 and a molecular weight of 373.72 g/mol.
Structurally, 1-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile (C14H11ClF3N5O2) contains a nitrogen-containing heterocyclic scaffold, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 10.0, corresponding to approximately 10 ring(s) or double-bond equivalent(s). With a molecular weight of 373.72 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).
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.
Physical & Chemical Properties
| Molecular Formula | C14H11ClF3N5O2 |
| Molecular Weight | 373.72 g/mol |
| Appearance | Pale yellow to 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) | 10.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 5 |
Related chloro Standards
- 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl](methyl)amino}-10-oxa-4-azatricyclo[5.2.1.0^{2,6}]dec-8-ene-3,5-dione (CAS 1005068-83-6)
- 1-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3-cyanopropan-2-yl furan-2-carboxylate (CAS 339016-45-4)
- N-(2-Chloro-5-(trifluoromethyl)phenyl)-5-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxamide (CAS 851944-50-8)
- 2-[3-(6-Chloro-4-trifluoromethyl-pyridin-2-yl)-phenoxy]-propionic acid ethyl ester (CAS 1311278-39-3)
- 2-[4-(6-Chloro-4-trifluoromethyl-pyridin-2-yl)-phenoxy]-propionic acid ethyl ester (CAS 1311280-29-1)
- Methyl 2-(4-((3-chloro-5-(trifluoromethyl)pyridin-2-yl)methyl)phenoxy)propanoate (CAS 882747-17-3)
- N-(3-chloro-4-methoxyphenyl)-3-nitro-4-(1H-1,2,4-triazol-1-yl)benzamide (CAS 338408-06-3)
- 4-Chloro-5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidine (CAS 887202-35-9)
Recommended Standards
- 1,2,3,4-Tetrabromobutane (CAS 1529-68-6)
- Bis(1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylato-κN3,κO4)copper (CAS 61573-60-2)
- rel-(2R,3S)-1,2,3,4-Tetrabromobutane (CAS 2657-67-2)
- N-[(1Z,3E)-2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-3-(methoxyimino)prop-1-en-1-yl]-4-fluoroaniline (CAS 320420-71-1)
- 3-Isopropyl-4-(4-methoxyphenyl)-1h-pyrazol-5-amine (CAS 955549-05-0)
- 1-[2-Chloro-4-(trifluoromethyl)phenyl]-5-(3,4-dichlorophenyl)-4-methanesulfonyl-1H-pyrazole (CAS 400088-10-0)
- 2-tert-butoxy-pyrimidine-5-boronic acid pinacol ester (CAS 2223044-16-2)
- Ethyl 2-(3-amino-1h-1,2,4-triazol-1-yl)butanoate (CAS 1343508-09-7)
- 2-Bromo-4,5-difluorobenzamidine (CAS 1880902-67-9)
- (s)-2-Amino-2-(2,6-dimethoxyphenyl)ethan-1-ol (CAS 1212904-39-6)
- 4-(5-Oxo-3-phenylthiazolidin-2-ylidene)-3-phenylisoxazol-5(4H)-one (CAS 503444-00-6)
- tert-Butyl 2-Chloro-7-fluoroquinazoline-4-acetate (CAS 1312785-22-0)
- 3-bromo-4-methyl-2-nitroaniline (CAS 1803582-59-3)
- Compstatin control peptide (CAS 301544-78-5)
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