≥90% 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.
| Sonrisas canónicas | COC(=O)C1(C2C(C(=O)N(C2=O)C3=CC=CC=C3)ON1)C(=O)OC |
|---|---|
| IUPAC Name | dimethyl 4,6-dioxo-5-phenyl-3a,6a-dihydro-2H-pyrrolo[3,4-d][1,2]oxazole-3,3-dicarboxylate |
| InChIKey | AHDXPHDEIXPHPG-UHFFFAOYSA-N |
| INCHI | 1S/C15H14N2O7/c1-22-13(20)15(14(21)23-2)9-10(24-16-15)12(19)17(11(9)18)8-6-4-3-5-7-8/h3-7,9-10,16H,1-2H3 |
| Isómeros SMILES | COC(=O)C1(C2C(C(=O)N(C2=O)C3=CC=CC=C3)ON1)C(=O)OC |
| PubChem CID | 5167371 |
| Peso molecular | 334.28 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
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 | Alpha amino acids and derivatives Pyrrolidine-2-ones Benzene and substituted derivatives N-substituted carboxylic acid imides Dicarboxylic acids and derivatives Pyrroles Dicarboximides Methyl esters Isoxazolidines Lactams Oxacyclic compounds N-organohydroxylamines Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-phenylpyrrolidine - Alpha-amino acid or derivatives - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - Carboxylic acid imide - Dicarboximide - Isoxazolidine - Pyrrole - Methyl ester - Lactam - Carboxylic acid ester - Oxacycle - Azacycle - N-organohydroxylamine - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen 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 | 334.280 g/mol |
|---|---|
| XLogP3 | 0.100 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 5 |
| Exact Mass | 334.08 Da |
| Monoisotopic Mass | 334.08 Da |
| Topological Polar Surface Area | 111.000 Ų |
| Heavy Atom Count | 24 |
| Formal Charge | 0 |
| Complexity | 568.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![dimethyl 4,6-dioxo-5-phenyltetrahydro-2H-pyrrolo[3,4-d]isoxazole-3,3(3aH)-dicarboxylate - ≥90% , CAS No.338408-97-2](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)