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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 1-Benzyl-2,5-dihydropyrrole-3-carboxylate - ≥95% , CAS No.101046-34-8
Synonyms
1-BENZYL-2,5-DIHYDRO-1H-PYRROLE-3-CARBOXYLICACIDMETHYLESTER | methyl1-benzyl-2,5-dihydro-1H-pyrrole-3-carboxylate | Methyl1-Benzyl-2,5-dihydropyrrole-3-carboxylate | 2,5-Dihydro-1-(phenylmethyl)-1H-pyrrole-3-carboxylicacidmethylester | 1H-Pyrrole-3-carbox
Storage
Store at 2-8°C,Protected from light
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Why this grade ≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,Protected from light Ships Wet ice 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
1-BENZYL-2, 5-DIHYDRO-1H-PYRROLE-3-CARBOXYLICACIDMETHYLESTER | methyl1-benzyl-2, 5-dihydro-1H-pyrrole-3-carboxylate | Methyl1-Benzyl-2, 5-dihydropyrrole-3-carboxylate | 2, 5-Dihydro-1-(phenylmethyl)-1H-pyrrole-3-carboxylicacidmethylester | 1H-Pyrrole-3-carbox
Specifications & Purity
≥95%
Storage
Store at 2-8°C, Protected from light
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Properties Names and Identifiers Canonical Smiles COC(=O)C1=CCN(C1)CC2=CC=CC=C2 IUPAC Name methyl 1-benzyl-2,5-dihydropyrrole-3-carboxylate InChIKey KRKHGZZFPSTQSW-UHFFFAOYSA-N INCHI 1S/C13H15NO2/c1-16-13(15)12-7-8-14(10-12)9-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3 Isomeric SMILES COC(=O)C1=CCN(C1)CC2=CC=CC=C2 PubChem CID 1515313 Molecular Weight 217.26
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 Pyrrolines Subclass Pyrroline carboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyrroline carboxylic acids Alternative Parents Phenylmethylamines Benzylamines Aralkylamines Methyl esters Enoate esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Benzylamine - Phenylmethylamine - Pyrroline carboxylic acid - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound Description 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 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 Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 217.260 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 Rotatable Bond Count 4 Exact Mass 217.11 Da Monoisotopic Mass 217.11 Da Topological Polar Surface Area 29.500 Ų Heavy Atom Count 16 Formal Charge 0 Complexity 280.000 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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