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· · COA & SDS available for every product · Same-day shipping on in-stock items Diethyl 2,4-dimethylpyrrole-3,5-dicarboxylate - ≥97% , CAS No.2436-79-5
Synonyms
Knorr's pyrrole | Diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate | Diethyl 3,5-Dimethyl-2,4-pyrroledicarboxylate | 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Normal Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
Knorr's pyrrole | Diethyl 3, 5-dimethyl-1H-pyrrole-2, 4-dicarboxylate | Diethyl 3, 5-Dimethyl-2, 4-pyrroledicarboxylate | 3, 5-Dimethyl-1H-pyrrole-2, 4-dicarboxylic acid diethyl ester
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488185122 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488185122 Canonical Smiles CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C IUPAC Name diethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate InChIKey XSBSXJAYEPDGSF-UHFFFAOYSA-N INCHI 1S/C12H17NO4/c1-5-16-11(14)9-7(3)10(13-8(9)4)12(15)17-6-2/h13H,5-6H2,1-4H3 Isomeric SMILES CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)C WGK Germany 3 Molecular Weight 239.27 Beilstein 22(5)4,68 Reaxy-Rn 194631 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=194631&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organoheterocyclic compounds Class Pyrroles Subclass Pyrrole carboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyrrole carboxylic acids and derivatives Alternative Parents Substituted pyrroles Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrrole-3-carboxylic acid or derivatives - Pyrrole-2-carboxylic acid or derivatives - Dicarboxylic acid or derivatives - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as pyrrole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrrole ring bearing a carboxyl group (or a derivative thereof). External Descriptors Not available Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Melt Point(°C) 136 °C Molecular Weight 239.270 g/mol XLogP3 2.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 6 Exact Mass 239.116 Da Monoisotopic Mass 239.116 Da Topological Polar Surface Area 68.400 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 292.000 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
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