for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Check lot-specific COA for exact specifications.
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.
| Canonical Smiles | COC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl |
|---|---|
| IUPAC Name | 3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | GXUHEPJLCPFTAK-UHFFFAOYSA-N |
| INCHI | 1S/C24H18Cl2N2O4/c1-31-17-10-8-15(9-11-17)27-23(29)20-21(18-12-7-14(25)13-19(18)26)28(32-22(20)24(27)30)16-5-3-2-4-6-16/h2-13,20-22H,1H3 |
| Molecular Weight | 469.300 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Pyrrolidines |
| Subclass | Phenylpyrrolidines |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenylpyrrolidines |
| Alternative Parents | Phenylisoxazolidines Methoxyanilines Dichlorobenzenes Anisoles Methoxybenzenes N-phenylhydroxylamines 1-hydroxylamino, 4-unsubstituted benzenoids 1-hydroxylamino, 2-unsubstituted benzenoids Phenoxy compounds Alkyl aryl ethers N-substituted carboxylic acid imides Aryl chlorides Pyrrolidine-2-ones Dicarboximides Pyrroles Lactams Azacyclic compounds N-organohydroxylamines Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylisoxazolidine - 1-phenylpyrrolidine - Methoxyaniline - Phenol ether - Phenoxy compound - N-phenylhydroxylamine - Methoxybenzene - 1,3-dichlorobenzene - Anisole - 1-hydroxylamino, 2-unsubstituted benzenoid - 1-hydroxylamino, 4-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Alkyl aryl ether - Carboxylic acid imide, n-substituted - Pyrrolidone - Monocyclic benzene moiety - Aryl halide - Aryl chloride - 2-pyrrolidone - Benzenoid - Carboxylic acid imide - Dicarboximide - Isoxazolidine - Pyrrole - Lactam - Carboxylic acid derivative - Oxacycle - N-organohydroxylamine - Ether - Azacycle - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteropolycyclic compound |
| Description | 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 |
| Molecular Weight | 469.300 g/mol |
|---|---|
| XLogP3 | 5.300 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 4 |
| Exact Mass | 468.064 Da |
| Monoisotopic Mass | 468.064 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 710.000 |
| 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 |
![3-(2,4-dichlorophenyl)-5-(4-methoxyphenyl)-2-phenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione - CAS No(353273-78-6) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/9/D928680.jpg)