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· · COA & SDS Disponible para cada producto · Same-day shipping on in-stock items methyl (3s)-5-oxo-1-[(1r)-1-phenylethyl]pyrrolidine-3-carboxylate - ≥97% Cat. No.: M178617
Synonyms
AKOS022173705 | P12787 | MFCD20526323 | SCHEMBL2183176 | BENQIPNJLDAXAT-PWSUYJOCSA-N | (S)-Methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate | methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate | DTXSID90548986 | 3-Pyrrolidinecarb
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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 Sinónimos
AKOS022173705 | P12787 | MFCD20526323 | SCHEMBL2183176 | BENQIPNJLDAXAT-PWSUYJOCSA-N | (S)-Methyl 5-oxo-1-((R)-1-phenylethyl)pyrrolidine-3-carboxylate | methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate | DTXSID90548986 | 3-Pyrrolidinecarb
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Room temperature
Nombres e identificadores Sonrisas canónicas CC(C1=CC=CC=C1)N2CC(CC2=O)C(=O)OC IUPAC Name methyl (3S)-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylate InChIKey BENQIPNJLDAXAT-PWSUYJOCSA-N INCHI 1S/C14H17NO3/c1-10(11-6-4-3-5-7-11)15-9-12(8-13(15)16)14(17)18-2/h3-7,10,12H,8-9H2,1-2H3/t10-,12+/m1/s1
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 Clase Pyrrolidines Subclass Pyrrolidine carboxylic acids and derivatives Intermediate Tree Nodes Not available Direct Parent Pyrrolidine carboxylic acids Alternative Parents Pyrrolidine-2-ones N-alkylpyrrolidines Benzene and substituted derivatives Tertiary carboxylic acid amides Methyl esters Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Pyrrolidine carboxylic acid - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Benzenoid - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound Descripción This compound belongs to the class of organic compounds known as pyrrolidine carboxylic acids. These are compounds containing a pyrrolidine ring which bears a carboxylic acid. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms. 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.
Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Peso molecular 247.290 g/mol XLogP3 1.200 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 3 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 323.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 2 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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