ChemicalBook--->CAS DataBase List--->33166-77-7

33166-77-7

33166-77-7 Structure

33166-77-7 Structure
IdentificationMore
[Name]

3-(3-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
[CAS]

33166-77-7
[Synonyms]

3-(3-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER
ETHYL 3-(3-FLUOROPHENYL)-3-OXOPROPANOATE
ETHYL (3-FLUOROBENZOYL)ACETATE
[Molecular Formula]

C11H11FO3
[MDL Number]

MFCD03424809
[Molecular Weight]

210.2
[MOL File]

33166-77-7.mol
Chemical PropertiesBack Directory
[Boiling point ]

262-263 °C(lit.)
[density ]

1.166 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.5172(lit.)
[Fp ]

>230 °F
[storage temp. ]

Sealed in dry,Room Temperature
[form ]

Liquid
[pka]

10.10±0.46(Predicted)
[color ]

Colorless to orange
[CAS DataBase Reference]

33166-77-7(CAS DataBase Reference)
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

Yes
[HS Code ]

2916399090
Hazard InformationBack Directory
[Uses]

Reactant for:
  • Preparation of biologically active molecules
[Synthesis]

To a stirring suspension of NaH and CO(OEt)2 in toluene was added dropwise a solution of substituted acetophenone in toluene under reflux. The mixture was allowed to reflux and was stirred for 20 min after the addition was complete. When cooled to room temperature, the mixture was acidified with glacial HOAc. After ice-cold water was added, the mixture was extracted with toluene. The extract was then dried over anhydrous MgS04. After the toluene was evaporated in vacuo to give the corresponding substituted Ethyl (3-fluorobenzoyl)acetate.
[References]

[1] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 17, p. 5064 - 5075
[2] Patent: WO2014/179401, 2014, A1. Location in patent: Page/Page column 9; 14; 15
[3] Journal of Medicinal Chemistry, 1997, vol. 40, # 19, p. 3049 - 3056
[4] European Journal of Organic Chemistry, 2015, vol. 2015, # 17, p. 3656 - 3660
[5] Chemical Communications, 2017, vol. 53, # 58, p. 8136 - 8139
Spectrum DetailBack Directory
[Spectrum Detail]

Ethyl (3-fluorobenzoyl)acetate(33166-77-7)1HNMR
Ethyl (3-fluorobenzoyl)acetate(33166-77-7)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

33166-77-7(sigmaaldrich)
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