| Identification | More | [Name]
2-Fluorophenylacetone | [CAS]
2836-82-0 | [Synonyms]
2-FLUOROPHENYLACETONE
2-FLUOROPHENYLACETONE 99% (GC)
2-Fluorophenylacetone 99%
2-Fluorophenylacetone99%
o-Fluorophenylacetone
1-(2-Fluorophenyl)acetone
1-(2-Fluorophenyl)-2-propanone
1-(2-Oxopropyl)-2-fluorobenzene | [EINECS(EC#)]
220-627-5 | [Molecular Formula]
C9H9FO | [MDL Number]
MFCD00000325 | [Molecular Weight]
152.17 | [MOL File]
2836-82-0.mol |
| Chemical Properties | Back Directory | [Appearance]
clear light yellow liquid | [Boiling point ]
47 °C/0.05 mmHg (lit.) | [density ]
1.077 g/mL at 25 °C(lit.)
| [refractive index ]
n20/D 1.4989(lit.)
| [Fp ]
185 °F
| [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Methyl Acetate: 50 mg/ml | [form ]
Liquid | [color ]
Pale yellow | [InChI]
InChI=1S/C9H9FO/c1-7(11)6-8-4-2-3-5-9(8)10/h2-5H,6H2,1H3 | [InChIKey]
BANVZEUCJHUPOI-UHFFFAOYSA-N | [SMILES]
C(C1=CC=CC=C1F)C(=O)C | [CAS DataBase Reference]
2836-82-0(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
F | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S24/25:Avoid contact with skin and eyes . | [WGK Germany ]
3
| [Hazard Note ]
Flammable | [HS Code ]
2914.39.9000 |
| Hazard Information | Back Directory | [Chemical Properties]
clear light yellow liquid | [Uses]
2-Fluorophenylacetone is used in the synthesis of antimalarial drugs. | [General Description]
(2-Fluorophenyl)acetone on reaction with chlorosulfonyl isocyanate yields 5-(2-fluorophenyl)-6-methyl-1,3-oxazine-2,4-(3H)-dione. | [Synthesis]
General procedure for the synthesis of 2-o-fluoropropiophenone from (2-fluorophenyl)-2-nitropropene: a suspension of 1-fluoro-2-(2-nitroprop-1-en-1-yl)benzene (2054547) (160 g, 0.88 mol), powdered iron (320 g, 5.71 mol) and ferric(III) chloride (3.2 g, 19.6 mmol) in 640 ml of water, was heated to 80°C with stirring and 37% hydrochloric acid (320 ml) was added slowly over a period of 20 min. Subsequently, the reaction mixture was heated to reflux state kept for 1 hour and then cooled to room temperature. Ethyl acetate (1 L) was added and the mixture was filtered through a diatomaceous earth pad to separate the organic and aqueous layers. The organic layer was dried and concentrated and the crude product obtained was purified by distillation under reduced pressure to give 1-(2-fluorophenyl)propan-2-one (2054549) (90 g, 67% yield) with Rf = 0.40 (ethyl acetate:heptane = 1:4) and a boiling point of 70 °C (1 mmHg). | [References]
[1] Patent: WO2017/29104, 2017, A1. Location in patent: Page/Page column 12
[2] Chimica Therapeutica, 1968, vol. 3, p. 313 - 320 |
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