5-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-2-methyl-3-phenyltetrahydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione CAS 317833-32-2
| CAS No. | 317833-32-2 |
| Molecular Formula | C20H18ClF3N4O3 |
| Molecular Weight | 454.83 g/mol |
| Category | Pharmaceutical Standards / API Standards |
| Availability | In Stock |
Chemical Structure
Description
Compared with other compounds in its class, the molecular weight of 454.83 g/mol gives 5-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-2-methyl-3-phenyltetrahydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione distinctive chromatographic separation conditions and mass-spectrometry parameter settings.
5-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-2-methyl-3-phenyltetrahydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione (CAS 317833-32-2) is a high-purity analytical reference standard with the molecular formula C20H18ClF3N4O3 and a molecular weight of 454.83 g/mol.
Structurally, 5-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-2-methyl-3-phenyltetrahydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione (C20H18ClF3N4O3) contains a steroid core, an amide group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 12.0, corresponding to approximately 12 ring(s) or double-bond equivalent(s). With a molecular weight of 454.83 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.
Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.
As a certified reference material (CRM), 5-(2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethyl)-2-methyl-3-phenyltetrahydro-4H-pyrrolo[3,4-d]isoxazole-4,6(5H)-dione 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.
Physical & Chemical Properties
| Molecular Formula | C20H18ClF3N4O3 |
| Molecular Weight | 454.83 g/mol |
| Appearance | Pale yellow to yellow crystalline powder. (slight halide-like odor, low volatility) |
| 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) | 12.0 |
| UV Absorption | UV-absorbing |
| Structural Features | Aromatic ring present |
| CAS Registry Year (est.) | 2025 |
| Halogen Content | F/Cl-containing |
| Nitrogen Atoms | 4 |
Related Chloro Standards
- (2E)-1-[5-({[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}methyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-[(4-methoxyphenyl)amino]prop-2-en-1-one (CAS 338422-63-2)
- 4-(2-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]amino}ethyl)-2-(morpholin-4-yl)-3H,4H-pyrido[2,3-b]pyrazin-3-one (CAS 338411-97-5)
- 1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-N-((4-methoxyphenyl)carbamothioyl)-1H-pyrrole-2-carboxamide (CAS 338420-75-0)
- Methyl 4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl][(2-hydroxyphenyl)methyl]amino}-3-fluorobenzoate (CAS 1708126-08-2)
- 1-({5-(6-chloro-3-pyridyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}thio)-3,3-dimethylbutan-2-one (CAS 680217-04-3)
- 2-Chloro-1,5-bis(m-tolyloxy)anthracene-9,10-dione (CAS 61601-43-2)
- 2-Chloro-1,8-bis(m-tolyloxy)anthracene-9,10-dione (CAS 61601-44-3)
- 5-({4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}methyl)-4-phenyl-4H-1,2,4-triazole-3-thiol (CAS 338979-15-0)
Recommended Standards
- Ethyl (2E,4Z)-5-amino-5-{4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}-2,4-dicyanopenta-2,4-dienoate (CAS 338409-19-1)
- [5-(4-Fluorophenoxy)-1-methyl-3-phenyl-1H-pyrazol-4-yl]methyl 2-chloro-6-fluorobenzoate (CAS 956795-39-4)
- 4-cyanophenyl 4-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy}benzenesulfonate (CAS 338414-06-5)
- 17B(H),21B(H)-(22RS)-Trishomohopane (CAS 71629-80-6)
- 1-Methyl-4-(2,4,6-trimethoxyphenyl)piperidin-3-ol (CAS 234771-34-7)
- Dimetamfetamine (CAS 17279-39-9)
- 1-(2-Chlorobenzyl)-3-methyl-1h-pyrazol-5-amine (CAS 3524-40-1)
- 3-(4-Methoxyphenyl)thiazolidin-4-one 1-oxide (CAS 109052-42-8)
- Methyl 2-((dimethylamino)methylene)-3-oxobutanoate (CAS 51559-52-5)
- 4-Benzoyl-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one (CAS 30182-86-6)
- 4-(2,5-Dimethoxyphenyl)-1,1,1-trifluorobut-3-en-2-one (CAS 1007105-55-6)
- 2-(4-(Pyridin-2-yl)piperazin-1-yl)ethan-1-amine (CAS 30194-54-8)
- (R)-tert-Butyl 3-((R)-(2-azidoethoxy)(3-chlorophenyl)methyl)piperidine-1-carboxylate (CAS 942145-05-3)
- Semaglutide Impurity 190 (CAS CATO-C4X-2226190)
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