| Identification | More | [Name]
4'-Fluoropropiophenone | [CAS]
456-03-1 | [Synonyms]
4'-FLUOROPROPIOPHENONE
4-FLUOROPROPIOPHENONE
ETHYL 4-FLUOROPHENYL KETONE
LABOTEST-BB LT01148316
P-FLUOROPROPIOPHENONE
1-(4-Fluorophenyl)-1-propanone
1-Propanone,1-(4-fluorophenyl)-
para-Fluoropropiophenone
Propiophenone, 4'-fluoro-
4-Fluoropropiophenone99%
4-Fluoropropiophenone 99%
4'-Fluoropropiophenone,97+%
1-(4-fluorophenyl)propan-1-one
Ethyl p-fluorophenyl ketone | [EINECS(EC#)]
207-255-9 | [Molecular Formula]
C9H9FO | [MDL Number]
MFCD00000356 | [Molecular Weight]
152.17 | [MOL File]
456-03-1.mol |
| Chemical Properties | Back Directory | [Appearance]
clear yellow liquid after melting | [Boiling point ]
100-102 °C (22 mmHg) | [density ]
1.096 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.5059(lit.)
| [Fp ]
170 °F
| [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
clear liquid | [color ]
Colorless to Light orange to Yellow | [Specific Gravity]
1.096 | [BRN ]
1210310 | [InChI]
InChI=1S/C9H9FO/c1-2-9(11)7-3-5-8(10)6-4-7/h3-6H,2H2,1H3 | [InChIKey]
QIJNVLLXIIPXQT-UHFFFAOYSA-N | [SMILES]
C(C1=CC=C(F)C=C1)(=O)CC | [CAS DataBase Reference]
456-03-1(CAS DataBase Reference) | [NIST Chemistry Reference]
1-Propanone, 1-(4-fluorophenyl)-(456-03-1) |
| Safety Data | Back Directory | [Hazard Codes ]
Xn,Xi | [Risk Statements ]
R22:Harmful if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes.
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S39:Wear eye/face protection .
S37/39:Wear suitable gloves and eye/face protection . | [RIDADR ]
2735 | [WGK Germany ]
2
| [Hazard Note ]
Irritant | [HS Code ]
29147000 |
| Hazard Information | Back Directory | [Chemical Properties]
clear yellow liquid after melting | [Uses]
4′-Fluoropropiophenone was used in the preparation of 2-(4-fluorophenyl)-3-methylquinoxaline. | [Uses]
4''-Fluoropropiophenone | [Synthesis]
General procedure for the synthesis of 4'-fluoropropiophenone from 1-(4-fluorophenyl)prop-2-en-1-ol: Under nitrogen protection, the ruthenium complex [RuCl2(6-C6H6)(PTA-Me)] (3a) (0.02-0.1 mmol; 0.5-2.5 mol%) and K2CO3 (0.05-0.25 mmol) were added to a solution of 1-(4-fluorophenyl)prop-2-en-1-ol (4a-o, 4 mmol) in tetrahydrofuran (4mL). -fluorophenyl)prop-2-en-1-ol (4a-o, 4 mmol) in a solution of tetrahydrofuran (4 mL). The reaction mixture was placed in a sealed tube and stirred at 75°C for the indicated time (see Table 4 and Scheme 3). The progress of the reaction was monitored by sampling and diluting 10 μL of the sample with dichloromethane (3 mL) every ~1 hr followed by GC analysis. Upon completion of the reaction, the mixture was cooled to room temperature, at which point the ruthenium complex 3a partially precipitated. The solids were removed by filtration and the reaction products were subsequently separated by solvent evaporation. The residue was purified using silica gel column chromatography with EtOAc-hexane (1:10) mixed solvent as eluent. The structure of the resulting carbonyl compounds 5a-o was confirmed by GC/MS analysis of their fragmentation patterns, NMR spectroscopy, and comparison of retention times of commercially pure samples (Sigma-Aldrich or Acros Organics). | [References]
[1] Tetrahedron, 2008, vol. 64, # 51, p. 11745 - 11750
[2] Journal of Molecular Catalysis A: Chemical, 2013, vol. 366, p. 390 - 399
[3] European Journal of Organic Chemistry, 2017, vol. 2017, # 26, p. 3886 - 3895
[4] Green Chemistry, 2010, vol. 12, # 9, p. 1628 - 1633
[5] Organometallics, 2012, vol. 31, # 23, p. 8301 - 8311 |
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