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· · COA & SDS available for every product · Same-day shipping on in-stock items (2R,3R)-2,3-bis(4-methylbenzoyloxy)butanedioic acid; bis((3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine) - ≥97% , CAS No.477600-71-8
Synonyms
(3R,4R)-1-Benzyl-N,4-dimethylpiperidin-3-amine hemi((2R,3R)-2,3-bis((4-methylbenzoyl)oxy)succinate) | AC-29294 | (2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine (1/2) | DTXSID20736793 | (3R,4R)-1-Benzy
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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 Synonyms
(3R, 4R)-1-Benzyl-N, 4-dimethylpiperidin-3-amine hemi((2R, 3R)-2, 3-bis((4-methylbenzoyl)oxy)succinate) | AC-29294 | (2R, 3R)-2, 3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--(3R, 4R)-1-benzyl-N, 4-dimethylpiperidin-3-amine (1/2) | DTXSID20736793 | (3R, 4R)-1-Benzy
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC1CCN(CC1NC)CC2=CC=CC=C2.CC1CCN(CC1NC)CC2=CC=CC=C2.CC1=CC=C(C=C1)C(=O)OC(C(C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O IUPAC Name (3R,4R)-1-benzyl-N,4-dimethylpiperidin-3-amine;(2R,3R)-2,3-bis[(4-methylbenzoyl)oxy]butanedioic acid InChIKey WGDVABTUJQIMJG-BKIDXARTSA-N INCHI 1S/C20H18O8.2C14H22N2/c1-11-3-7-13(8-4-11)19(25)27-15(17(21)22)16(18(23)24)28-20(26)14-9-5-12(2)6-10-14;2*1-12-8-9-16(11-14(12)15-2)10-13-6-4-3-5-7-13/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24);2*3-7,12,14-15H,8-11H2,1-2H3/t15-,16-;2*12-,14+/m111/s1 Isomeric SMILES C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2.C[C@@H]1CCN(C[C@@H]1NC)CC2=CC=CC=C2.CC1=CC=C(C=C1)C(=O)O[C@H]([C@H](C(=O)O)OC(=O)C2=CC=C(C=C2)C)C(=O)O PubChem CID 67295176 Molecular Weight 823.044
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 Benzoic acid esters Phenylmethylamines Benzoyl derivatives Benzylamines Aminopiperidines Toluenes Aralkylamines Monosaccharides Dicarboxylic acids and derivatives Carboxylic acid esters Trialkylamines Azacyclic compounds Carboxylic acids Dialkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives Molecular Framework Not available Substituents N-benzylpiperidine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzylamine - Phenylmethylamine - Toluene - Aralkylamine - 3-aminopiperidine - Benzenoid - Monocyclic benzene moiety - Monosaccharide - Dicarboxylic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Secondary amine - Azacycle - Secondary aliphatic amine - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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 823.000 g/mol XLogP3 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 12 Rotatable Bond Count 15 Exact Mass 822.457 Da Monoisotopic Mass 822.457 Da Topological Polar Surface Area 158.000 Ų Heavy Atom Count 60 Formal Charge 0 Complexity 732.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 6 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 3
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