| Identification | More | [Name]
2'-(Trifluoromethyl)acetophenone | [CAS]
17408-14-9 | [Synonyms]
2-ACETYLBENZOFLUORIDE
2-ACETYLBENZOTRIFLUORIDE
2'-(TRIFLUOROMETHYL)ACETOPHENONE
2-(TRIFLUOROMETHYL)ACETOPHENONE
O-TRIFLUOROMETHYLACETOPHENONE
1-[2-(Trifluoromethyl)phenyl]ethanone
Acetophenone, 2'-trifluoromethyl-
Ethanone, 1-[2-(trifluoromethyl)phenyl]-
2-(trifluoromethyl) hypnone
2'-(Trifluoromethyl)acetophenone 98%
2'-(Trifluoromethyl)acetophenone98%
1-[2-(trifluoromethyl)phenyl]ethan-1-one
2'-(Trifluoromethyl)acetophenone, 97+%
2'-(Trifluoromethyl)acetophenone | [EINECS(EC#)]
241-434-2 | [Molecular Formula]
C9H7F3O | [MDL Number]
MFCD00000378 | [Molecular Weight]
188.15 | [MOL File]
17408-14-9.mol |
| Chemical Properties | Back Directory | [Appearance]
clear colorless to very slightly yellow liqui | [Melting point ]
15-17°C | [Boiling point ]
163 °C | [density ]
1.255 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4584(lit.)
| [Fp ]
184 °F
| [storage temp. ]
2-8°C | [form ]
Liquid | [color ]
Clear colorless to very slightly yellow | [Specific Gravity]
1.255 | [Detection Methods]
GC,NMR | [BRN ]
2259035 | [CAS DataBase Reference]
17408-14-9(CAS DataBase Reference) | [NIST Chemistry Reference]
|
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S24/25:Avoid contact with skin and eyes .
S36:Wear suitable protective clothing . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29143990 |
| Hazard Information | Back Directory | [Chemical Properties]
clear colorless to very slightly yellow liqui | [Uses]
2′-(Trifluoromethyl)acetophenone has been used to investigate the use of in situ generated CuCF3 for the direct substitution of chlorine by CF3 in various aromatic substrates. | [Synthesis]
The general procedure for the synthesis of o-trifluoromethylacetophenone using 1-(2-trifluoromethylphenyl)ethanol as starting material was as follows: in a round-bottomed flask, which was pre-dried in an oven, eosin Y (5 mmol), 1-(2-trifluoromethylphenyl)ethanol (1 mmol), and 3 equiv. of TBHP (5.5 M solution in decane, with the solvent being dry acetonitrile (ACN) were added. The resulting mixture was degassed for 15 min and subsequently backfilled with nitrogen. Next, the mixture was irradiated at room temperature (25 °C) using a blue LED lamp (12 W, 455 nm). The progress of the reaction was monitored by thin layer chromatography (TLC). Upon completion of the reaction, the mixture was diluted with 15 mL of 10% NaHCO3 solution and extracted with ethyl acetate (EtOAc, 3 × 20 mL). The organic extracts were combined, washed with brine (20 mL), dried over anhydrous sodium sulfate (Na2SO4) and subsequently concentrated under vacuum. Finally, the crude product was purified by silica gel column chromatography using ethyl acetate:hexane as eluent to obtain the target product o-trifluoromethyl acetophenone. | [References]
[1] ChemCatChem, 2015, vol. 7, # 12, p. 1865 - 1870
[2] Tetrahedron Letters, 2016, vol. 57, # 30, p. 3294 - 3297
[3] Green Chemistry, 2017, vol. 19, # 2, p. 474 - 480 |
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