5′-Fluoro-2′-hydroxyacetophenone
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5′-Fluoro-2′-hydroxyacetophenone
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CAS No:
394-32-1
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Formula:
C8H7FO2
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Chemical Name:
5′-Fluoro-2′-hydroxyacetophenone
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Synonyms:
Ethanone,1-(5-fluoro-2-hydroxyphenyl)-;Acetophenone,5′-fluoro-2′-hydroxy-;1-(5-Fluoro-2-hydroxyphenyl)ethanone;5′-Fluoro-2′-hydroxyacetophenone;2-Acetyl-4-fluorophenol;NSC 46624;2′-Hydroxy-5′-fluoroacetophenone;3-Fluoro-6-hydroxyacetophenone;1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one
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CAS No:
5′-Fluoro-2′-hydroxyacetophenone Basic Attributes
154.14
154.14
206-893-5
UE6FHC9K7M
46624
DTXSID30192588
2914700090
Characteristics
37.3
1.8
Yellow to brown solid.
1.2±0.1 g/cm3
56-56.5 °C
94-99 °C @ Press: 12 Torr
97.7±21.8 °C
1.530
Soluble 0.68 G/L
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
NONH for all modes of transport
3
R22;R36/37/38
S26-S37/39-S36/37/39
AM8502300
Xn:Harmful;
Stable at room temperature in closed containers under normal storage and handling conditions.
P261-P305 + P351 + P338
H302-H315-H319-H335
5′-Fluoro-2′-hydroxyacetophenone Use and Manufacturing
General procedure: O-Acyloxy benzenes (0.28 mmol) were dissolved in TfOH (3 ml) at 0 °C. The reaction mixture was warmed to room temperature for appropriate time in Table 3, then poured into cold water and ethyl acetate. The organic layer was washed with 1 M HCl, saturated NaHCOPreparation 5: (2-Hydroxy-4-fluoro phenyl)-l-ethanone A mixture of 4-fluorophenylacetate obtained in preparation 4 (25 g, 223 mmol), aluminium choloride (89 g, 670 mmol), was placed into 1 L single neck round bottom flask, fitted with an air condenser and calcium chloride guard tube. Reaction mixture was slowly heated to 120-125 °C over 30 minutes, and then to 165 °C (generation of HCl gas was observed). The mixture was stirred at the same temparature for 30 min and then cooled to room temp. Water (500 mL) was added to it followed by 6 N HCl (150 mL). The mixture was extracted with chloroform (3 x 200mL), combined organic layers were dried over sodium sulfate and concentrated under reduced pressure to afford the title compound (21 g, 84 percent) as a white solid.
Computed Properties
Molecular Weight:154.14
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:154.04300762
Monoisotopic Mass:154.04300762
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5′-Fluoro-2′-hydroxyacetophenone
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