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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate - ≥96% , CAS No.937601-54-2
Synonyms
Methyl 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate|937601-54-2|Methyl 1-(1-benzyl-4-piperidinyl)-5-oxo-3-pyrrolidinecarboxylate|2-Pyridinemethanol, 6-mercapto-alpha-methyl-, 1-oxide (6CI)|DTXSID40918155|MFCD08689668|AKOS005071386|9W-0600|J-5
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Why this grade ≥96% 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
Methyl 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate | 937601-54-2 | Methyl 1-(1-benzyl-4-piperidinyl)-5-oxo-3-pyrrolidinecarboxylate | 2-Pyridinemethanol, 6-mercapto-alpha-methyl-, 1-oxide (6CI) | DTXSID40918155 | MFCD08689668 | AKOS005071386 | 9W-0600 | J-5
Specifications & Purity
≥96%
Names and Identifiers Canonical Smiles COC(=O)C1CC(=O)N(C1)C2CCN(CC2)CC3=CC=CC=C3 IUPAC Name methyl 1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxylate InChIKey VQCDWKWEVDUUHN-UHFFFAOYSA-N INCHI 1S/C18H24N2O3/c1-23-18(22)15-11-17(21)20(13-15)16-7-9-19(10-8-16)12-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3 Isomeric SMILES COC(=O)C1CC(=O)N(C1)C2CCN(CC2)CC3=CC=CC=C3 PubChem CID 18526052 Molecular Weight 316.4
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 Piperidines Subclass Benzylpiperidines Intermediate Tree Nodes Not available Direct Parent N-benzylpiperidines Alternative Parents Benzylamines Oxoprolines Pyrrolidine carboxylic acids Phenylmethylamines Aralkylamines N-alkylpyrrolidines Pyrrolidine-2-ones Methyl esters Tertiary carboxylic acid amides Amino acids and derivatives Lactams Trialkylamines Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents N-benzylpiperidine - Benzylamine - Oxoproline - Phenylmethylamine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Aralkylamine - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Methyl ester - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom. 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 316.400 g/mol XLogP3 1.400 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 5 Exact Mass 316.179 Da Monoisotopic Mass 316.179 Da Topological Polar Surface Area 49.900 Ų Heavy Atom Count 23 Formal Charge 0 Complexity 426.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 1 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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