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· · COA & SDS available for every product · Same-day shipping on in-stock items (R)-2-Benzyl-4-(tert-butoxy)-4-oxobutanoic acid - ≥97% , CAS No.122225-33-6
Synonyms
SCHEMBL1704171 | Butanedioic acid, 2-(phenylmethyl)-, 4-(1,1-dimethylethyl) ester, (2R)- | XEA22533 | (2R)-3-tert-Butyloxycarbonyl-2-phenylmethylpropionic Acid | DTXSID90544387 | AKOS016011321 | MFCD12755810 | TWMRLCPQQCHIBH-GFCCVEGCSA-N | (2R)-2-benzyl-4
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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
SCHEMBL1704171 | Butanedioic acid, 2-(phenylmethyl)-, 4-(1, 1-dimethylethyl) ester, (2R)- | XEA22533 | (2R)-3-tert-Butyloxycarbonyl-2-phenylmethylpropionic Acid | DTXSID90544387 | AKOS016011321 | MFCD12755810 | TWMRLCPQQCHIBH-GFCCVEGCSA-N | (2R)-2-benzyl-4
Specifications & Purity
≥97%
Names and Identifiers Canonical Smiles CC(C)(C)OC(=O)CC(CC1=CC=CC=C1)C(=O)O IUPAC Name (2R)-2-benzyl-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid InChIKey TWMRLCPQQCHIBH-GFCCVEGCSA-N INCHI 1S/C15H20O4/c1-15(2,3)19-13(16)10-12(14(17)18)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,17,18)/t12-/m1/s1 Isomeric SMILES CC(C)(C)OC(=O)C[C@@H](CC1=CC=CC=C1)C(=O)O PubChem CID 13584974 Molecular Weight 264.32
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 Phenylpropanoids and polyketides Class Phenylpropanoic acids Subclass Not available Intermediate Tree Nodes Not available Direct Parent Phenylpropanoic acids Alternative Parents Fatty acid esters Dicarboxylic acids and derivatives Benzene and substituted derivatives Carboxylic acid esters Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds Molecular Framework Aromatic homomonocyclic compounds Substituents 3-phenylpropanoic-acid - Fatty acid ester - Fatty acyl - Benzenoid - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Carboxylic acid ester - Carboxylic acid - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid. 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 264.320 g/mol XLogP3 2.500 Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 7 Exact Mass 264.136 Da Monoisotopic Mass 264.136 Da Topological Polar Surface Area 63.600 Ų Heavy Atom Count 19 Formal Charge 0 Complexity 311.000 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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