3-Fluorophenyl acetate

Base Information

• Chemical Name: 3-Fluorophenyl acetate
• CAS No.: 701-83-7
• Molecular Formula: C8H7FO2
• Molecular Weight: 154.141
• Hs Code.: 29153900
• European Community (EC) Number: 615-079-2
• DSSTox Substance ID: DTXSID00220382
• Nikkaji Number: J270.054I
• Wikidata: Q83097586
• ChEMBL ID: CHEMBL455763
• Mol file: 701-83-7.mol

Synonyms:3-Fluorophenyl acetate;701-83-7;1-Acetoxy-3-fluorobenzene;Acetic Acid 3-Fluorophenyl Ester;(3-fluorophenyl) acetate;MFCD00142578;3-fluorophenylacetate;m-Fluorophenyl Acetate;Phenol, 3-fluoro-, acetate;SCHEMBL287805;3-Fluorophenyl acetate, 97%;CHEMBL455763;IAWZWMGUTKRLQB-UHFFFAOYSA-;DTXSID00220382;acetic acid 3-fluoro-phenyl ester;PC0900;AKOS005254469;DS-5132;SY042571;CS-0155013;F0800;FT-0607275

Chemical Property of 3-Fluorophenyl acetate

Chemical Property:

• Appearance/Colour: colourlesstolightyellowliqui
• Refractive Index: n20/D 1.4800(lit.)
• Boiling Point: 196.5 °C at 760 mmHg
• Flash Point: 71 °C
• PSA: 26.30000
• Density: 1.174 g/cm³
• LogP: 1.75100
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.04300762
• Heavy Atom Count: 11
• Complexity: 147

Purity/Quality:

3-Fluorophenyl acetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-36/37/38-43
• Safety Statements: 26-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)OC1=CC(=CC=C1)F

Technology Process of 3-Fluorophenyl acetate

There total 7 articles about 3-Fluorophenyl acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.8%

3-fluorophenol (372-20-3) + acetic anhydride (108-24-7) → 3-fluorophenyl acetate (701-83-7)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 2h;

DOI:10.1080/00397911.2018.1564832

Reference yield: 89.0%

3-fluorophenol (372-20-3) + acetyl chloride (75-36-5) → 3-fluorophenyl acetate (701-83-7)

Guidance literature:

With Fe/SWCNTs; at 20 ℃; for 0.25h;

DOI:10.1002/adsc.201000365

Reference yield: 78.0%

1-fluoro-3-methoxybenzene (456-49-5) + carbon monoxide (201230-82-2) + methyl iodide (74-88-4) → 3-fluorophenyl acetate (701-83-7)

Guidance literature:

With iridium(III) chloride; triphenylphosphine; In acetonitrile; at 180 ℃; for 20h; under 3750.38 Torr; Autoclave;

DOI:10.1039/d0nj05050d

upstream raw materials:

vinyl acetate

3-fluorophenol

acetic anhydride

3-fluorophenolate anion

Downstream raw materials:

4-Fluoro-2-hydroxyacetophenone

1-(4-fluoro-2-methoxy-phenyl)-ethanone