Methyl 3-(2-methoxyphenyl)-3-oxopropanoate

HCID 2759697

Notes Reactions

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Basic information

CAS: 54177-02-5
Standard SMILES: COC(=O)CC(=O)c1ccccc1OC
InChIKey: OEIWRCBBMGTEMA-UHFFFAOYSA-N
Molecular formula: C11H12O4
Average molar mass: 208.21 g/mol
Monoisotopic mass: 208.07355886

Names & identifiers

Preferred name: Methyl 3-(2-methoxyphenyl)-3-oxopropanoate
IUPAC: methyl 3-(2-methoxyphenyl)-3-oxopropanoate
English name: 3-(2-Methoxy-phenyl)-3-oxo-propionic acid methyl ester
Molecular formula: C11H12O4
Molecular weight: 208.21

Names & synonyms

54177-02-5methyl 3-(2-methoxyphenyl)-3-oxopropanoate3-(2-methoxy-phenyl)-3-oxo-propionic acid methyl esterMFCD03424780methyl 2-methoxybenzoylacetate3-(2-Methoxyphenyl)-3-oxo-propionic acid methyl ester3-(2-methoxyphenyl)-3-oxopropionic acid methyl esterbenzenepropanoic acid, 2-methoxy-beta-oxo-, methyl esterMethyl-3-(methoxyphenyl)-3-oxopropionatemethyl 3-(2-methoxyphenyl)-3-oxo-propanoateMethyl 3-(2-Methoxyphenyl)-3-oxopropionateSCHEMBL447573

Show more names

AKOS BBS-00002639Methyl 2-methoxy-β-oxobenzenepropanoate3-(2-methoxyphenyl)-3-oxopropanoic acid methyl esterBenzenepropanoic acid, 2-methoxy-β-oxo-, methyl ester

DTXSID50374884OEIWRCBBMGTEMA-UHFFFAOYSA-NALBB-021812AB1488AKOS000271394SB37590AS-44591DA-32884

Database identifiers

CAS: 54177-02-5
PubChem CID: 2759697
DTXSID: DTXSID50374884

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 237

Physicochemical properties

Boiling point: 179 · 179-180 °C(Press: 15 Torr)
Density: 1.211 · 1.211
storage temp.: Inert atmosphere,Room Temperature
pka: 10.22 · 10.22±0.46(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Chemistry & industry

Applications

UsesMethyl 3-(2-Methoxyphenyl)-3-oxopropanoate is a reactant that has been used in the synthesis of indanonecarboxylates in a catalytic Nazarov reaction.