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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate - ≥97% , CAS No.20303-31-5
Synonyms
BDBM44579 | NCGC00022790-02 | HMS3307B20 | FT-0637976 | Oprea1_855982 | SY008177 | DTXSID00349683 | UPCMLD-DP155:001 | Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate | KCXNIAMRWFWMOX-UHFFFAOYSA-N | UPCMLD-DP155 | 4-(2-Methoxycarbonyl-ethyl)
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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.
Overview Methyl 5-(benzyloxycarbonyl)-2,4-dimethyl-3-pyrrolepropionate may be used in chemical synthesis studies.
Specifications Synonyms
BDBM44579 | NCGC00022790-02 | HMS3307B20 | FT-0637976 | Oprea1_855982 | SY008177 | DTXSID00349683 | UPCMLD-DP155:001 | Methyl 5-(benzyloxycarbonyl)-2, 4-dimethyl-3-pyrrolepropionate | KCXNIAMRWFWMOX-UHFFFAOYSA-N | UPCMLD-DP155 | 4-(2-Methoxycarbonyl-ethyl)
Specifications & Purity
≥97%
Names and Identifiers Pubchem Sid 488191005 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488191005 Canonical Smiles CC1=C(NC(=C1CCC(=O)OC)C)C(=O)OCC2=CC=CC=C2 IUPAC Name benzyl 4-(3-methoxy-3-oxopropyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate InChIKey KCXNIAMRWFWMOX-UHFFFAOYSA-N INCHI 1S/C18H21NO4/c1-12-15(9-10-16(20)22-3)13(2)19-17(12)18(21)23-11-14-7-5-4-6-8-14/h4-8,19H,9-11H2,1-3H3 Isomeric SMILES CC1=C(NC(=C1CCC(=O)OC)C)C(=O)OCC2=CC=CC=C2 WGK Germany 3 Molecular Weight 315.36 Reaxy-Rn 299369 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=299369&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 Benzenoids Class Benzene and substituted derivatives Subclass Benzyloxycarbonyls Intermediate Tree Nodes Not available Direct Parent Benzyloxycarbonyls Alternative Parents Pyrrole carboxylic acids and derivatives Fatty acid esters Substituted pyrroles Dicarboxylic acids and derivatives Methyl esters Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzyloxycarbonyl - Pyrrole-2-carboxylic acid or derivatives - Fatty acid ester - Dicarboxylic acid or derivatives - Substituted pyrrole - Fatty acyl - Methyl ester - Pyrrole - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. 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) 98-99 °C Molecular Weight 315.400 g/mol XLogP3 3.200 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 8 Exact Mass 315.147 Da Monoisotopic Mass 315.147 Da Topological Polar Surface Area 68.400 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 406.000 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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