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Basic Description
| 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 Temp | 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. |
| Product Description |
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 |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organic oxygen compounds
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Class
Organooxygen compounds
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Subclass
Carbonyl compounds
- Level5 Ketones
- Level6 Aryl ketones
- Level7 Phenylketones
- Level8 Alkyl-phenylketones
- Level7 Phenylketones
- Level6 Aryl ketones
- Level5 Ketones
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Subclass
Carbonyl compounds
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Class
Organooxygen compounds
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Superclass
Organic oxygen compounds
| 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 |
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Names and Identifiers
| Pubchem Sid | 488189656 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/488189656 |
| IUPAC Name | 2-diethoxyphosphoryl-1-phenylethanone |
| INCHI | 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 |
| InChIKey | HPEVTTNSIPGLEL-UHFFFAOYSA-N |
| Smiles | CCOP(=O)(CC(=O)C1=CC=CC=C1)OCC |
| 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= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 F2301225 |
Certificate of Analysis | Apr 23, 2023 | D155200 |
| F2301224 |
Certificate of Analysis | Apr 23, 2023 | D155200 |
| F2301227 |
Certificate of Analysis | Apr 23, 2023 | D155200 |
| F2301216 |
Certificate of Analysis | Apr 23, 2023 | D155200 |
| F2301223 |
Certificate of Analysis | Apr 23, 2023 | D155200 |
| F2301237 |
Certificate of Analysis | Apr 23, 2023 | D155200 |
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 |
Solution Calculators
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