1-(2-Fluorophenyl)acetone

Base Information

• Chemical Name: 1-(2-Fluorophenyl)acetone
• CAS No.: 2836-82-0
• Molecular Formula: C9H9FO
• Molecular Weight: 152.168
• Hs Code.: 2914700090
• European Community (EC) Number: 220-627-5
• UNII: N4SU83BW94
• DSSTox Substance ID: DTXSID10182604
• Nikkaji Number: J306.766A
• Mol file: 2836-82-0.mol

Synonyms:2-fluorophenylacetone;2836-82-0;1-(2-fluorophenyl)propan-2-one;1-(2-Fluorophenyl)acetone;(2-Fluorophenyl)acetone;2-Propanone, 1-(2-fluorophenyl)-;1-(2-Fluorophenyl)-2-propanone;EINECS 220-627-5;MFCD00000325;o-Fluorophenylacetone;2-Fluorophenylacetone, 98%;SCHEMBL125583;1-(2-Fluorophenyl)acetone #;N4SU83BW94;(2-Fluorophenyl)acetone, 99%;2-Propanone, (o-fluorophenyl)-;DTXSID10182604;1-(2-Fluoro-phenyl)-propan-2-one;AKOS000215972;CS-W008481;PS-8921;A5391;F0970;FT-0605538;EN300-157262;N11952;Q-101900

Chemical Property of 1-(2-Fluorophenyl)acetone

Chemical Property:

• Appearance/Colour: Clear light yellow liquid
• Vapor Pressure: 0.00877mmHg at 25°C
• Refractive Index: n20/D 1.4989(lit.)
• Boiling Point: 266.2 °C at 760 mmHg
• Flash Point: 83.4 °C
• PSA: 17.07000
• Density: 1.077 g/cm³
• LogP: 1.95720
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.063743068
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

95%min ^*data from raw suppliers

2-Fluorophenylacetone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): F
• Hazard Codes: F
• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)CC1=CC=CC=C1F
• Uses: 2-Fluorophenylacetone is used in the synthesis of antimalarial drugs. (2-Fluorophenyl)acetone was used in the synthesis of 6-methyluracils.

Technology Process of 1-(2-Fluorophenyl)acetone

There total 13 articles about 1-(2-Fluorophenyl)acetone 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: 96.0%

methyllithium (917-54-4) + (2-fluorophenyl)acetic acid (451-82-1) → (o-fluorophenyl)acetone (2836-82-0)

Guidance literature:

With lithium bromide; In tetrahydrofuran; diethyl ether; for 1h; Heating;

DOI:10.1021/jm00156a009

Reference yield: 88.0%

o-fluorobromobenzene (1072-85-1) + acetone (67-64-1) → (o-fluorophenyl)acetone (2836-82-0)

Guidance literature:

With potassium phosphate; C₃₇H₅₆ClPPd; at 50 ℃; for 21h; Sealed tube; Inert atmosphere;

DOI:10.1055/s-0040-1707887

Reference yield: 88.0%

1-chloro-2-fluorobenzene (348-51-6) + acetone (67-64-1) → (o-fluorophenyl)acetone (2836-82-0)

Guidance literature:

With potassium phosphate; 2-(2,6-dimethoxyphenyl)-1-methyl-3-(diphenylphosphino)-1H-indole; palladium diacetate; at 90 ℃; for 18h; Inert atmosphere; Schlenk technique;

DOI:10.1021/acs.orglett.5b02344

upstream raw materials:

1-fluoro-2-(2-nitroprop-1-en-1-yl)benzene

fluorobenzene

acetone

1-phenyl-acetone

Downstream raw materials:

2,3,5,6-tetraphenylpyrazine

5-(2-fluoro-phenyl)-6-methyl-4-methylsulfanyl-2-oxo-2H-pyran-3-carbonitrile

1-fluoro-2-(2-methoxypropyl)benzene

(E)-ethyl 3-(3-fluoro-2-(2-methoxypropyl)phenyl)acrylate

Refernces

• 1、 Albarrán-Velo, Jesús,Gotor-Fernández, Vicente,Lavandera, Iván. "Markovnikov Wacker-Tsuji Oxidation of Allyl(hetero)arenes and Application in a One-Pot Photo-Metal-Biocatalytic Approach to Enantioenriched Amines and Alcohols". . p. 4096 - 4108. Retrieved 2021/08/19.
• 2、 De Souza, Aline A. N.,Silva, Nathalia S.,Müller, Andressa V.,Polo, André S.,Brocksom, Timothy J.,De Oliveira, Kleber T.. "Porphyrins as Photoredox Catalysts in Csp2-H Arylations: Batch and Continuous Flow Approaches". . p. 15077 - 15086. Retrieved 2019/01/03.