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· · COA & SDS available for every product · Same-day shipping on in-stock items Diethyl (2-Oxo-2-phenylethyl)phosphonate - ≥97% , CAS No.3453-00-7
Synonyms
Diethyl (2-oxo-2-phenylethyl)phosphonate | MFCD00015342 | (2-Oxo-2-phenylethyl)phosphonic Acid Diethyl Ester | J-019640 | DTXSID60188075 | BP-12945 | NSC648426 | NSC-648426 | Diethyl (2-oxo-2-phenylethyl)phosphonate, 97% | Diethyl Benzoylmethylphosphonate
Storage
Store at 2-8°C,Argon charged
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Why this grade ≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Store at 2-8°C,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.
Overview Application
Reactant involved in:
Asymmetric Michael addition of β-oxo phosphonates to nitro olefins
Gem-chlorofluorination of keto phosphonates with subsequent functionalization of the products
Cyclocondensation reactions to produce arylphosphonates
Diazo transfer reactions for synthesis of diazo-phosphonyl compounds
Horner-Wadsworth-Emmons reactions
Inverse-electron-demand Diels-Alder reactions
Specifications Synonyms
Diethyl (2-oxo-2-phenylethyl)phosphonate | MFCD00015342 | (2-Oxo-2-phenylethyl)phosphonic Acid Diethyl Ester | J-019640 | DTXSID60188075 | BP-12945 | NSC648426 | NSC-648426 | Diethyl (2-oxo-2-phenylethyl)phosphonate, 97% | Diethyl Benzoylmethylphosphonate
Specifications & Purity
≥97%
Storage
Store at 2-8°C, Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers Pubchem Sid 488189656 Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/488189656 Canonical Smiles CCOP(=O)(CC(=O)C1=CC=CC=C1)OCC IUPAC Name 2-diethoxyphosphoryl-1-phenylethanone InChIKey HPEVTTNSIPGLEL-UHFFFAOYSA-N INCHI 1S/C12H17O4P/c1-3-15-17(14,16-4-2)10-12(13)11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 Isomeric SMILES CCOP(=O)(CC(=O)C1=CC=CC=C1)OCC WGK Germany 3 Molecular Weight 256.24 Beilstein 16(4)1118 Reaxy-Rn 2942070 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2942070&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 oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Benzoyl derivatives Aryl alkyl ketones Dialkyl alkylphosphonates Phosphonic acid esters Organopnictogen compounds Organophosphorus compounds Organic oxides Hydrocarbon derivatives Molecular Framework Aromatic homomonocyclic compounds Substituents Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - Dialkyl alkylphosphonate - Phosphonic acid diester - Benzenoid - Phosphonic acid ester - Monocyclic benzene moiety - Organophosphonic acid derivative - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organophosphorus compound - Aromatic homomonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. 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 Air Sensitive Refractive Index 1.51 Flash Point(°F) >235.4 °F Flash Point(°C) >113 °C Boil Point(°C) 193°C/11mmHg(lit.) Molecular Weight 256.230 g/mol XLogP3 1.600 Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4 Rotatable Bond Count 7 Exact Mass 256.086 Da Monoisotopic Mass 256.086 Da Topological Polar Surface Area 52.600 Ų Heavy Atom Count 17 Formal Charge 0 Complexity 274.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 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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