≥95% 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.
| Pubchem Sid | 504771761 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504771761 |
| Sonrisas canónicas | CC(C)(C)OC(=O)N1C(=C2C(=C(N(C2=O)C(=O)OC(C)(C)C)C3=CC=CS3)C1=O)C4=CC=CS4 |
| IUPAC Name | ditert-butyl 3,6-dioxo-1,4-dithiophen-2-ylpyrrolo[3,4-c]pyrrole-2,5-dicarboxylate |
| InChIKey | JWVNTGQABFZACQ-UHFFFAOYSA-N |
| INCHI | 1S/C24H24N2O6S2/c1-23(2,3)31-21(29)25-17(13-9-7-11-33-13)15-16(19(25)27)18(14-10-8-12-34-14)26(20(15)28)22(30)32-24(4,5)6/h7-12H,1-6H3 |
| Isómeros SMILES | CC(C)(C)OC(=O)N1C(=C2C(=C(N(C2=O)C(=O)OC(C)(C)C)C3=CC=CS3)C1=O)C4=CC=CS4 |
| Peso molecular | 500.59 |
| Reaxy-Rn | 20057343 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20057343&ln= |
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 | Pyrrolines |
| Subclass | Pyrroline carboxylic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Pyrroline carboxylic acids |
| Alternative Parents | Thiophenes Heteroaromatic compounds Dicarboximides Carbamate esters Tertiary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Pyrroline carboxylic acid - Dicarboximide - Thiophene - Carbamic acid ester - Heteroaromatic compound - Amino acid or derivatives - Tertiary amine - Carboxylic acid derivative - Azacycle - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Descripción | This compound belongs to the class of organic compounds known as pyrroline carboxylic acids. These are heterocyclic compounds containing a pyrroline ring substituted by one or more carboxylic acid groups. |
| External Descriptors | Not available |
| Peso molecular | 500.600 g/mol |
|---|---|
| XLogP3 | 4.000 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 6 |
| Exact Mass | 500.108 Da |
| Monoisotopic Mass | 500.108 Da |
| Topological Polar Surface Area | 150.000 Ų |
| Heavy Atom Count | 34 |
| Formal Charge | 0 |
| Complexity | 924.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
![Di-tert-butyl 1,4-dioxo-3,6-di(thiophen-2-yl)pyrrolo[3,4-c]pyrrole-2,5(1H,4H)-dicarboxylate - ≥95% CAS No(1046864-83-8) by Aladdin Scientific](https://www.aladdinsci.com/media/catalog/product/cache/207e23213cf636ccdef205098cf3c8a3/D/1/D189482.png)
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