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 | CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4C)C5=CC=C(C=C5)N(C)C |
|---|---|
| IUPAC Name | 3-[4-(dimethylamino)phenyl]-5-(4-ethoxyphenyl)-2-(2-methylphenyl)-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | JLZYOXVPSOBRAM-UHFFFAOYSA-N |
| INCHI | 1S/C28H29N3O4/c1-5-34-22-16-14-21(15-17-22)30-27(32)24-25(19-10-12-20(13-11-19)29(3)4)31(35-26(24)28(30)33)23-9-7-6-8-18(23)2/h6-17,24-26H,5H2,1-4H3 |
| Molecular Weight | 471.500 |
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 Phenoxy compounds Phenol ethers 1-hydroxylamino, 2-unsubstituted benzenoids 1-hydroxylamino, 4-unsubstituted benzenoids N-phenylhydroxylamines Aniline and substituted anilines Dialkylarylamines Toluenes Alkyl aryl ethers Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Dicarboximides Amino acids and derivatives Lactams Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylisoxazolidine - 1-phenylpyrrolidine - Phenoxy compound - N-phenylhydroxylamine - 1-hydroxylamino, 4-unsubstituted benzenoid - 1-hydroxylamino, 2-unsubstituted benzenoid - Phenol ether - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Toluene - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Carboxylic acid imide, n-substituted - Dicarboximide - Carboxylic acid imide - Isoxazolidine - Pyrrole - Tertiary amine - Lactam - Amino acid or derivatives - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - N-organohydroxylamine - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen 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 | 471.500 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 6 |
| Exact Mass | 471.216 Da |
| Monoisotopic Mass | 471.216 Da |
| Topological Polar Surface Area | 62.300 Ų |
| Heavy Atom Count | 35 |
| Formal Charge | 0 |
| Complexity | 759.000 |
| 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-[4-(dimethylamino)phenyl]-5-(4-ethoxyphenyl)-2-(2-methylphenyl)-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione , CAS No.342780-88-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)