≥98% 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)/C(=C\2/C(N(C(=O)C2=O)C3=NC=CS3)C4=CC=C(C=C4)Cl)/O |
|---|---|
| IUPAC Name | (4E)-5-(4-chlorophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione |
| InChIKey | UWHFKUQQWALXBX-HTXNQAPBSA-N |
| INCHI | 1S/C22H17ClN2O4S/c1-2-29-16-9-5-14(6-10-16)19(26)17-18(13-3-7-15(23)8-4-13)25(21(28)20(17)27)22-24-11-12-30-22/h3-12,18,26H,2H2,1H3/b19-17+ |
| Molecular Weight | 440.9 |
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 | Phenoxy compounds Phenol ethers Alkyl aryl ethers Chlorobenzenes Pyrrolidine-3-ones Pyrrolidine-2-ones Aryl chlorides Vinylogous acids Thiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Cyclic ketones Azacyclic compounds Enols Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | 2-phenylpyrrolidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Pyrrolidone - 2-pyrrolidone - 3-pyrrolidone - Benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Pyrrole - Vinylogous acid - Azole - Carboxamide group - Cyclic ketone - Ketone - Lactam - Ether - Enol - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic 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 | 440.900 g/mol |
|---|---|
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 5 |
| Exact Mass | 440.06 Da |
| Monoisotopic Mass | 440.06 Da |
| Topological Polar Surface Area | 108.000 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 687.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 1 |
| Covalently-Bonded Unit Count | 1 |
![(4E)-5-(4-chlorophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione - ≥98% , CAS No.380584-15-6](https://www.aladdinsci.com/media/catalog/product/placeholder/default/default_4.jpg)