Ethyl Benzoylformate - CAS 1603-79-8
Catalog: |
BB011630 |
Product Name: |
Ethyl Benzoylformate |
CAS: |
1603-79-8 |
Synonyms: |
Ethyl phenylglyoxylate; Ethyl oxophenylacetate; Phenylglyoxylic acid ethyl ester; Glyoxylic acid, phenyl-, ethyl ester; Benzoylformic Acid Ethyl Ester; ethyl benzoyl formate; phenyl glyoxylic acid ethyl ester; oxo-phenyl-acetic acid ethyl ester; α-Oxobenzeneacetic Acid Ethyl Ester |
IUPAC Name: | ethyl 2-oxo-2-phenylacetate |
Description: | Ethyl Benzoylformate is a simultaneous inhibitor and substrate of chicken liver carboxylesterase. |
Molecular Weight: | 178.18 |
Molecular Formula: | C10H10O3 |
Canonical SMILES: | CCOC(=O)C(=O)C1=CC=CC=C1 |
InChI: | InChI=1S/C10H10O3/c1-2-13-10(12)9(11)8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
InChI Key: | QKLCQKPAECHXCQ-UHFFFAOYSA-N |
Boiling Point: | 256.5°C |
Melting Point: | 158°C |
Purity: | ≥95% |
Density: | 1.1255 g/cm3 |
Solubility: | Soluble in Water |
Appearance: | Clear colorless to greenish liquid |
Storage: | Store at RT |
MDL: | MFCD00009120 |
LogP: | 1.43240 |
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PMID | Publication Date | Title | Journal |
20405933 | 20100521 | Aminodifluorosulfinium salts: selective fluorination reagents with enhanced thermal stability and ease of handling | The Journal of organic chemistry |
20049620 | 20100301 | Biochemical characterization of a recombinant short-chain NAD(H)-dependent dehydrogenase/reductase from Sulfolobus acidocaldarius | Extremophiles : life under extreme conditions |
18698474 | 20080907 | Polar [3 + 2] cycloaddition of ketones with electrophilically activated carbonyl ylides. Synthesis of spirocyclic dioxolane indolinones | Organic & biomolecular chemistry |
16235968 | 20051027 | A practical synthesis of (S)-2-cyclohexyl-2-phenylglycolic acid via organocatalytic asymmetric construction of a tetrasubstituted carbon center | Organic letters |
15747694 | 20040901 | Synthesis of new derivatives of 8-aryl-3-phenyl-6,7-dihydro-4H-imidazo[2, 1-c][1,2,4]triazin-4-one | Acta poloniae pharmaceutica |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.062994177 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.062994177 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 43.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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