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)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=NC=C5 |
|---|---|
| IUPAC Name | 5-(4-methoxyphenyl)-2-phenyl-3-pyridin-4-yl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | ZWEYECKGSIUVIR-UHFFFAOYSA-N |
| INCHI | 1S/C23H19N3O4/c1-29-18-9-7-16(8-10-18)25-22(27)19-20(15-11-13-24-14-12-15)26(30-21(19)23(25)28)17-5-3-2-4-6-17/h2-14,19-21H,1H3 |
| Peso molecular | 401.4 |
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 Methoxyanilines Anisoles Methoxybenzenes Phenoxy compounds N-phenylhydroxylamines 1-hydroxylamino, 2-unsubstituted benzenoids 1-hydroxylamino, 4-unsubstituted benzenoids Alkyl aryl ethers Pyridines and derivatives Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Heteroaromatic compounds Dicarboximides Lactams Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-phenylpyrrolidine - Phenylisoxazolidine - Methoxyaniline - Methoxybenzene - Phenoxy compound - N-phenylhydroxylamine - Phenol ether - Anisole - 1-hydroxylamino, 2-unsubstituted benzenoid - 1-hydroxylamino, 4-unsubstituted benzenoid - Alkyl aryl ether - Pyrrolidone - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - 2-pyrrolidone - Pyridine - Benzenoid - Carboxylic acid imide - Dicarboximide - Isoxazolidine - Heteroaromatic compound - Pyrrole - Lactam - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - N-organohydroxylamine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - 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 | 401.400 g/mol |
|---|---|
| XLogP3 | 2.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 401.138 Da |
| Monoisotopic Mass | 401.138 Da |
| Topological Polar Surface Area | 72.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 638.000 |
| 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-methoxyphenyl)-2-phenyl-3-(pyridin-4-yl)dihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione , CAS No.380872-63-9](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)