1-Acetoxy-3-fluorobenzene

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1-Acetoxy-3-fluorobenzene manufacturers

1-Acetoxy-3-fluorobenzene Basic information
Product Name:1-Acetoxy-3-fluorobenzene
Synonyms:3-FLUOROPHENYL ACETATE;1-Acetoxy-3-fluorobenzene 98%;1-Acetoxy-3-fluorobenzene98%;3-Fluorophenyl acetate 98%;1-Fluoro-3-acetoxybenzene;Acetic acid 3-fluorophenyl ester;3-Fluorophenyl acetate,98%;2-(3-fluorophenyl)acetate
CAS:701-83-7
MF:C8H7FO2
MW:154.14
EINECS:
Product Categories:Other Fluorinated Organic Building Blocks;Anisoles, Alkyloxy Compounds & Phenylacetates;Fluorine Compounds;C8 to C9;Carbonyl Compounds;Esters;Aryl Fluorinated Building Blocks;Building Blocks;C7-C8;C8 to C9;Carbonyl Compounds;Chemical Synthesis;Fluorinated Building Blocks;Organic Building Blocks;Organic Fluorinated Building Blocks
Mol File:701-83-7.mol
1-Acetoxy-3-fluorobenzene Structure
1-Acetoxy-3-fluorobenzene Chemical Properties
Boiling point 77-78 °C13 mm Hg(lit.)
density 1.147 g/mL at 25 °C(lit.)
refractive index n20/D 1.4800(lit.)
Fp 168 °F
storage temp. Sealed in dry,Room Temperature
form clear liquid
color Colorless to Almost colorless
BRN 2555261
InChI1S/C8H7FO2/c1-6(10)11-8-4-2-3-7(9)5-8/h2-5H,1H3
InChIKeyIAWZWMGUTKRLQB-UHFFFAOYSA-N
SMILESCC(=O)Oc1cccc(F)c1
CAS DataBase Reference701-83-7(CAS DataBase Reference)
Safety Information
Hazard Codes Xn
Risk Statements 22-36/37/38-43
Safety Statements 26-24/25
RIDADR 2810
WGK Germany 3
Hazard Note Harmful
HazardClass 6.1
PackingGroup III
HS Code 29153900
Storage Class10 - Combustible liquids
Hazard ClassificationsAcute Tox. 4 Oral
Eye Dam. 1
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
ALFA English
1-Acetoxy-3-fluorobenzene Usage And Synthesis
Chemical Propertiescolourlesstolightyellowliqui
Synthesis
3-Fluorophenol

372-20-3

Acetic anhydride

108-24-7

1-ACETOXY-3-FLUOROBENZENE

701-83-7

3-Fluorophenol (10 g, 89 mmol) was dissolved in acetic anhydride (90 mmol). Concentrated sulfuric acid (3 drops) was added as a catalyst and the reaction mixture was heated to 120°C. After completion of the reaction, the mixture was slowly poured into ice water (100 ml) containing NaHCO3 (1 g) to neutralize the acid. Subsequently, the organic phase was separated by extraction with ethyl acetate. The organic phase was washed sequentially with saturated NaHCO3 solution to remove residual acid and dried with anhydrous Na2SO4. Finally, the solvent was removed by distillation under reduced pressure to give 3-fluorophenol acetate (10.5 g), and the product was used directly in the subsequent reaction.

References[1] Chemistry - A European Journal, 2015, vol. 21, # 5, p. 2241 - 2249
[2] Journal of Medicinal Chemistry, 1987, vol. 30, # 5, p. 814 - 820
[3] Journal of Medicinal Chemistry, 2018, vol. 61, # 7, p. 3037 - 3058
[4] Patent: CN105085427, 2018, B. Location in patent: Paragraph 0331; 0333; 0335; 0336
1-Acetoxy-3-fluorobenzene Preparation Products And Raw materials
Raw materials3-Fluorophenol-->Acetic anhydride
Preparation Products4'-Fluoro-2'-hydroxyacetophenone-->2'-Fluoro-4'-hydroxyacetophenone
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