ChemicalBook CAS DataBase List 394-32-1

394-32-1

Name	1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone
CAS	394-32-1
EINECS(EC#)	206-893-5
Molecular Formula	C8H7FO2
MDL Number	MFCD00011668
Molecular Weight	154.14
MOL File	394-32-1.mol

Synonyms

1-(5-FLUORO-2-HYDROXYPHENYL)-1-ETHANONE 1-(5-FLUORO-2-HYDROXYPHENYL)ETHAN-1-ONE 1-(5-FLUORO-2-HYDROXY-PHENYL)ETHANONE 2-HYDROXY-5-FLUOROACETOPHENONE 5'-FLUORO-2'-HYDROXYACETOPHENONE 5-FLUORO-2-HYDROXYACETOPHENONE 2-Acetyl-4-fluorophenol 5’-fluoro-2’-hydroxy-acetophenon Ethanone, 1-(5-fluoro-2-hydroxyphenyl)- 5'-Fluoro-2'-Hydroxyacetophenone 1-(5-Fluoro-2-Hydroxyphenyl)ethan-1-one 2-Hydroxy-5-Fluoroacetophenone99% 5-Fluoro-2-hydroxyacetophenone,98% 5'-Fluoro-2'-hydroxyacetopheno 2-Acety-4-fluorophenol 5'-fluoro-2'-hydroxyacetophenone,1-(5-fluoro-2-hydroxy)ethanone 5&#39-Fluoro-2&#39-hydroxy Acetophenone 5-Fluoro-2-hydroxyphenyl(methyl) ketone

Chemical Properties

Appearance	light yellow to beige-brown crystals or
Melting point	56-58 °C(lit.)
Boiling point	65-66 °C8 mm Hg(lit.)
density	1.1850 (estimate)
Fp	65-66°C/8mm
storage temp.	Inert atmosphere,Room Temperature
form	powder to crystal
pka	10.17±0.18(Predicted)
color	White to Gray to Brown
Water Solubility	Soluble 0.68 G/L
BRN	2359087
InChI	1S/C8H7FO2/c1-5(10)7-4-6(9)2-3-8(7)11/h2-4,11H,1H3
InChIKey	KOFFXZYMDLWRHX-UHFFFAOYSA-N
SMILES	CC(=O)c1cc(F)ccc1O
CAS DataBase Reference	394-32-1(CAS DataBase Reference)
NIST Chemistry Reference	5-Fluoro-2-hydroxyacetophenone(394-32-1)

Safety Data

Symbol(GHS)	GHS07
Signal word	Warning
Hazard statements	H302-H315-H319-H335
Precautionary statements	P261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Hazard Codes	Xi,Xn
Risk Statements	R36/37/38:Irritating to eyes, respiratory system and skin . R22:Harmful if swallowed. less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S37/39:Wear suitable gloves and eye/face protection . S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . less more
WGK Germany	3
RTECS	AM8502300
Hazard Note	Irritant
HazardClass	IRRITANT
HS Code	29147000
Storage Class	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

Hazard Information

Chemical Properties

light yellow to beige-brown crystals or

Uses

5′-Fluoro-2′-hydroxyacetophenone has been used in the preparation of:

1-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-5-phenyl-2,4-pentadien-1-one
3-hydroxy and 3-methoxyflavones
3-hydroxy and 3-methoxy 2-styrylchromones

Definition

ChEBI: 1-(5-Fluoro-2-hydroxyphenyl)ethan-1-one is an aromatic ketone.

Preparation

Preparation by Fries rearrangement of 4-fluorophenyl acetate with aluminium chloride without solvent between 115° and 150° (88–89%).

General Description

5-fluoro-2-hydroxy acetophenone, also known as 2-ethanoyl-4-fluorophenol or 1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone, is a kind of important medicine intermediate, can be used as multiple beta-blockers synthetic intermediate, has vast market prospect.

Synthesis

The preparation method of 1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone under following steps:
Performing double esterification on amino groups and phenolic hydroxy in one step by taking amino-phenol as a raw material.
Performing Fries rearrangement under the condition of aluminum chloride/sodium chloride.
Heating a hydrolyzate after completing fluorine diazotization to obtain finished 1-(5-Fluoro-2-hydroxyphenyl)-1-ethanone.

References

[1] Indian Journal of Chemistry - Section B Organic and Medicinal Chemistry, 2016, vol. 55B, # 4, p. 492 - 500
[2] Tetrahedron, 2011, vol. 67, # 3, p. 641 - 649
[3] Journal of Medicinal Chemistry, 1987, vol. 30, # 5, p. 814 - 820
[4] Patent: WO2005/40163, 2005, A1. Location in patent: Page/Page column 58-59
[5] Synthetic Communications, 2008, vol. 38, # 15, p. 2507 - 2520

Material Safety Data Sheet(MSDS)

Spectrum Detail

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