for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Sonrisas canónicas | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC(=C4)C(F)(F)F)C5=CC=CC=N5 |
|---|---|
| IUPAC Name | 2-phenyl-3-pyridin-2-yl-5-[3-(trifluoromethyl)phenyl]-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | CABXKYXOJAOEDY-UHFFFAOYSA-N |
| INCHI | 1S/C23H16F3N3O3/c24-23(25,26)14-7-6-10-16(13-14)28-21(30)18-19(17-11-4-5-12-27-17)29(32-20(18)22(28)31)15-8-2-1-3-9-15/h1-13,18-20H |
| Peso molecular | 439.400 |
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Clase | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Phenylisoxazolidines Trifluoromethylbenzenes 1-hydroxylamino, 2-unsubstituted benzenoids 1-hydroxylamino, 4-unsubstituted benzenoids N-phenylhydroxylamines Pyrrolidine-2-ones Pyridines and derivatives N-substituted carboxylic acid imides Pyrroles Dicarboximides Heteroaromatic compounds Lactams N-organohydroxylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organopnictogen compounds Organofluorides Organic oxides |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylisoxazolidine - 1-phenylpyrrolidine - Trifluoromethylbenzene - N-phenylhydroxylamine - 1-hydroxylamino, 4-unsubstituted benzenoid - 1-hydroxylamino, 2-unsubstituted benzenoid - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyridine - Pyrrolidone - 2-pyrrolidone - Benzenoid - Carboxylic acid imide - Dicarboximide - Isoxazolidine - Pyrrole - Heteroaromatic compound - Lactam - N-organohydroxylamine - Azacycle - Oxacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organic oxygen compound - Organonitrogen compound - Alkyl halide - Alkyl fluoride - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxide - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. |
| External Descriptors | Not available |
| Peso molecular | 439.400 g/mol |
|---|---|
| XLogP3 | 3.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 3 |
| Exact Mass | 439.114 Da |
| Monoisotopic Mass | 439.114 Da |
| Topological Polar Surface Area | 62.700 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 727.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![2-phenyl-3-(pyridin-2-yl)-5-(3-(trifluoromethyl)phenyl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione - CAS No(342615-55-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/P/9/P948360.jpg)