≥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 | CCOC(=O)C1=NOC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl |
|---|---|
| IUPAC Name | ethyl 5-(4-chlorophenyl)-4,6-dioxo-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-3-carboxylate |
| InChIKey | NADRFVQJUKWNGP-UHFFFAOYSA-N |
| INCHI | 1S/C14H11ClN2O5/c1-2-21-14(20)10-9-11(22-16-10)13(19)17(12(9)18)8-5-3-7(15)4-6-8/h3-6,9,11H,2H2,1H3 |
| Isómeros SMILES | CCOC(=O)C1=NOC2C1C(=O)N(C2=O)C3=CC=C(C=C3)Cl |
| PubChem CID | 3157125 |
| Peso molecular | 322.7 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 | Chlorobenzenes Pyrrolidine-2-ones Aryl chlorides N-substituted carboxylic acid imides Pyrroles Dicarboximides Isoxazolines Oxime ethers Carboxylic acid esters Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organochlorides Organic oxides Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | 1-phenylpyrrolidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - 2-pyrrolidone - Pyrrolidone - Carboxylic acid imide - Dicarboximide - Isoxazoline - Pyrrole - Oxime ether - Lactam - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organochloride - 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 | 322.700 g/mol |
|---|---|
| XLogP3 | 2.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 4 |
| Exact Mass | 322.036 Da |
| Monoisotopic Mass | 322.036 Da |
| Topological Polar Surface Area | 85.300 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 541.000 |
| 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 |
![ethyl 5-(4-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-3-carboxylate - ≥90% , CAS No.338792-98-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)