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· · COA & SDS available for every product · Same-day shipping on in-stock items 1-Benzyl-3-methoxycarbonyl-4-piperidone - ≥95% , CAS No.57611-47-9
Synonyms
57611-47-9|1-Benzyl-3-methoxycarbonyl-4-piperidone|methyl 1-benzyl-4-oxopiperidine-3-carboxylate|1-Benzyl-3-(methoxycarbonyl)-4-piperidone|Methyl 1-Benzyl-4-oxo-3-piperidinecarboxylate|1-BENZYL-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER|3-Piperidinec
Storage
Store at 2-8°C,Protected from light,Argon charged
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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,Argon charged 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
57611-47-9 | 1-Benzyl-3-methoxycarbonyl-4-piperidone | methyl 1-benzyl-4-oxopiperidine-3-carboxylate | 1-Benzyl-3-(methoxycarbonyl)-4-piperidone | Methyl 1-Benzyl-4-oxo-3-piperidinecarboxylate | 1-BENZYL-4-OXO-PIPERIDINE-3-CARBOXYLIC ACID METHYL ESTER | 3-Piperidinec
Specifications & Purity
≥95%
Storage
Store at 2-8°C, Protected from light, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Canonical Smiles COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2 IUPAC Name methyl 1-benzyl-4-oxopiperidine-3-carboxylate InChIKey PHTILULPLFUXPS-UHFFFAOYSA-N INCHI 1S/C14H17NO3/c1-18-14(17)12-10-15(8-7-13(12)16)9-11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3 Isomeric SMILES COC(=O)C1CN(CCC1=O)CC2=CC=CC=C2 Molecular Weight 247.29 Reaxy-Rn 210735 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=210735&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 Piperidines Subclass Benzylpiperidines Intermediate Tree Nodes Not available Direct Parent N-benzylpiperidines Alternative Parents Piperidinecarboxylic acids Phenylmethylamines Benzylamines Piperidinones Aralkylamines 1,3-dicarbonyl compounds Methyl esters Trialkylamines Cyclic ketones Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic heteromonocyclic compounds Substituents N-benzylpiperidine - Piperidinecarboxylic acid - Benzylamine - Phenylmethylamine - Piperidinone - Aralkylamine - Monocyclic benzene moiety - 1,3-dicarbonyl compound - Benzenoid - Methyl ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Cyclic ketone - Carboxylic acid ester - Ketone - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - 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 Sensitivity light sensitive Molecular Weight 247.290 g/mol XLogP3 1.300 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 247.121 Da Monoisotopic Mass 247.121 Da Topological Polar Surface Area 46.600 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 310.000 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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