for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal 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 | CCOC1=CC=C(C=C1)N2C(=O)C3C(N(OC3C2=O)C4=CC=CC=C4)C5=CC=C(C=C5)F |
|---|---|
| IUPAC Name | 5-(4-ethoxyphenyl)-3-(4-fluorophenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione |
| InChIKey | CLDHLEJEAVKJKI-UHFFFAOYSA-N |
| INCHI | 1S/C25H21FN2O4/c1-2-31-20-14-12-18(13-15-20)27-24(29)21-22(16-8-10-17(26)11-9-16)28(32-23(21)25(27)30)19-6-4-3-5-7-19/h3-15,21-23H,2H2,1H3 |
| Peso molecular | 432.4 |
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 | Phenylisoxazolidines Phenoxy compounds Phenol ethers 1-hydroxylamino, 2-unsubstituted benzenoids 1-hydroxylamino, 4-unsubstituted benzenoids N-phenylhydroxylamines Alkyl aryl ethers Fluorobenzenes Pyrrolidine-2-ones Aryl fluorides N-substituted carboxylic acid imides Pyrroles Dicarboximides Lactams Oxacyclic compounds Azacyclic compounds N-organohydroxylamines Organopnictogen compounds Organic oxides Carbonyl compounds Organofluorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Phenylisoxazolidine - 1-phenylpyrrolidine - Phenol ether - Phenoxy compound - N-phenylhydroxylamine - 1-hydroxylamino, 4-unsubstituted benzenoid - 1-hydroxylamino, 2-unsubstituted benzenoid - Alkyl aryl ether - Halobenzene - Fluorobenzene - Benzenoid - 2-pyrrolidone - Pyrrolidone - Aryl halide - Aryl fluoride - Carboxylic acid imide, n-substituted - Monocyclic benzene moiety - Isoxazolidine - Pyrrole - Dicarboximide - Carboxylic acid imide - Lactam - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - N-organohydroxylamine - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - 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 | 432.400 g/mol |
|---|---|
| XLogP3 | 4.500 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 432.149 Da |
| Monoisotopic Mass | 432.149 Da |
| Topological Polar Surface Area | 59.100 Ų |
| Heavy Atom Count | 32 |
| Formal Charge | 0 |
| Complexity | 683.000 |
| 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-ethoxyphenyl)-3-(4-fluorophenyl)-2-phenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dione , CAS No.473390-55-5](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)