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· · COA & SDS available for every product · Same-day shipping on in-stock items Methyl (S)-4-Benzyl-5-oxomorpholine-3-carboxylate - ≥97% , CAS No.1235181-00-6
Synonyms
(S)-4-Benzyl-5-oxo-morpholine-3-carboxylic acid methyl ester | 1235181-00-6 | Methyl (3S)-4-benzyl-5-oxomorpholine-3-carboxylate | 3-Morpholinecarboxylic acid, 5-oxo-4-(phenylmethyl)-, methyl ester, (3S)- | METHYL (S)-4-BENZYL-5-OXO-MORPHOLINE-3-CARBOXYLA
Storage
Room temperature,Desiccated
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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,Desiccated 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
(S)-4-Benzyl-5-oxo-morpholine-3-carboxylic acid methyl ester | 1235181-00-6 | Methyl (3S)-4-benzyl-5-oxomorpholine-3-carboxylate | 3-Morpholinecarboxylic acid, 5-oxo-4-(phenylmethyl)-, methyl ester, (3S)- | METHYL (S)-4-BENZYL-5-OXO-MORPHOLINE-3-CARBOXYLA
Specifications & Purity
≥97%
Storage
Room temperature, Desiccated
Names and Identifiers Pubchem Sid 488198462 Canonical Smiles COC(=O)C1COCC(=O)N1CC2=CC=CC=C2 IUPAC Name methyl (3S)-4-benzyl-5-oxomorpholine-3-carboxylate InChIKey UTUDPLWXJNKTNP-NSHDSACASA-N INCHI 1S/C13H15NO4/c1-17-13(16)11-8-18-9-12(15)14(11)7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3/t11-/m0/s1 Isomeric SMILES COC(=O)[C@@H]1COCC(=O)N1CC2=CC=CC=C2 Molecular Weight 249.26 Reaxy-Rn 5069415 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5069415&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 Organic acids and derivatives Class Carboxylic acids and derivatives Subclass Amino acids, peptides, and analogues Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives Direct Parent Alpha amino acid esters Alternative Parents Morpholine carboxylic acids Benzene and substituted derivatives Tertiary carboxylic acid amides Methyl esters Lactams Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Alpha-amino acid ester - Morpholine-3-carboxylic acid - Morpholine-3-carboxylic acid or derivatives - Monocyclic benzene moiety - Benzenoid - Oxazinane - Morpholine - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as alpha amino acid esters. These are ester derivatives of alpha amino acids. 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 249.260 g/mol XLogP3 0.800 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 4 Exact Mass 249.1 Da Monoisotopic Mass 249.1 Da Topological Polar Surface Area 55.800 Ų Heavy Atom Count 18 Formal Charge 0 Complexity 312.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 1 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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