| Identification | Back Directory | [Name]
3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER | [CAS]
1479-24-9 | [Synonyms]
NSC 166423
ETHYL 2-FLUOROBENZOYLACETATE
Ethyl(2-Fluorobenzoyl)acetate>
2-Fluorobenzoylacetic acid ethyl ester
2-[(2-fluorophenyl)-oxomethyl]butanoate
ETHYL 3-(2-FLUOROPHENYL)-3-OXOPROPANOATE
Ethyl 3-oxo-3-(2-fluorophenyl)propionate
Ethyl 3-(2-fluorophenyl)-3-oxo-propionate
Ethyl (2-fluorobenzoyl)acetate technical grade
β-Oxo-2-fluorobenzenepropanoic acid ethyl ester
3-Oxo-3-(2-fluorophenyl)propionic acid ethyl ester
Benzenepropanoic acid, 2-fluoro-b-oxo-, ethyl ester
Benzenepropanoic acid, 2-fluoro-β-oxo-, ethyl ester
3-(2-FLUORO-PHENYL)-3-OXO-PROPIONIC ACID ETHYL ESTER | [Molecular Formula]
C11H11FO3 | [MDL Number]
MFCD00000321 | [MOL File]
1479-24-9.mol | [Molecular Weight]
210.2 |
| Chemical Properties | Back Directory | [Boiling point ]
124-125℃ (1.5 Torr) | [density ]
1.164 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.516(lit.)
| [Fp ]
>230 °F
| [storage temp. ]
Keep in dark place,Inert atmosphere,Room temperature | [form ]
Liquid | [pka]
10.03±0.46(Predicted) | [color ]
Colorless to Light orange to Yellow | [InChI]
1S/C11H11FO3/c1-2-15-11(14)7-10(13)8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3 | [InChIKey]
YMUNUVJSNWUWDA-UHFFFAOYSA-N | [SMILES]
CCOC(=O)CC(=O)c1ccccc1F |
| Hazard Information | Back Directory | [Uses]
Ethyl (2-fluorobenzoyl)acetate may be used in chemical synthesis. | [Synthesis]
GENERAL METHOD: An appropriate amount of diketone (9a or 9b) (0.3 mol) was mixed with ethanol (500 mL), heated to 80 °C and refluxed for 5 hours. Upon completion of the reaction, the mixture was cooled to room temperature and the solvent was removed by distillation under reduced pressure to give the target product ester (10a or 10b) in the form of a red oil.
7.10.1 Preparation of ethyl 3-(2-fluorophenyl)-3-oxopropanoate (10a): the product obtained was a red oily material in 85% yield; mass spectrum (ESI) m/z: 233.1 [M + Na]? , 443.1 [2M + Na]? | [References]
[1] Bioorganic and Medicinal Chemistry, 2013, vol. 21, # 11, p. 2843 - 2855
[2] Archiv der Pharmazie, 2013, vol. 346, # 7, p. 521 - 533
[3] Patent: EP2799437, 2014, A1. Location in patent: Paragraph 0057
[4] Patent: US2014/364431, 2014, A1. Location in patent: Paragraph 0188
[5] Patent: WO2017/37672, 2017, A1. Location in patent: Page/Page column 48 |
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| Company Name: |
Alfa Aesar
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| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
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| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
| Company Name: |
Sigma-Aldrich
|
| Telephone: |
021-61415566 800-8193336 |
| Website: |
https://www.sigmaaldrich.cn |
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