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 | COC1=CC=C(C=C1)C2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)F)ON2C5=CC=CC=C5 |
|---|---|
| IUPAC Name | 5-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | AJAPTWKTHVPRHV-UHFFFAOYSA-N |
| INCHI | 1S/C24H19FN2O4/c1-30-19-13-7-15(8-14-19)21-20-22(31-27(21)18-5-3-2-4-6-18)24(29)26(23(20)28)17-11-9-16(25)10-12-17/h2-14,20-22H,1H3 |
| Peso molecular | 418.4 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Phenoxy compounds 1-hydroxylamino, 2-unsubstituted benzenoids 1-hydroxylamino, 4-unsubstituted benzenoids Anisoles N-phenylhydroxylamines Methoxybenzenes Alkyl aryl ethers Fluorobenzenes Pyrrolidine-2-ones N-substituted carboxylic acid imides Aryl fluorides Pyrroles Dicarboximides Lactams Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Organopnictogen compounds Organic oxides Organofluorides Carbonyl compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylisoxazolidine - 1-phenylpyrrolidine - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - 1-hydroxylamino, 2-unsubstituted benzenoid - 1-hydroxylamino, 4-unsubstituted benzenoid - N-phenylhydroxylamine - Fluorobenzene - Halobenzene - Alkyl aryl ether - Benzenoid - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Isoxazolidine - Pyrrole - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Ether - N-organohydroxylamine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - 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 | 418.400 g/mol |
|---|---|
| XLogP3 | 4.100 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 418.133 Da |
| Monoisotopic Mass | 418.133 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 668.000 |
| 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 |
![5-(4-fluorophenyl)-3-(4-methoxyphenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione , CAS No.312713-64-7](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)