Benzonitrile, 4-acetyl-2-fluoro- (9CI)

Base Information

• Chemical Name: Benzonitrile, 4-acetyl-2-fluoro- (9CI)
• CAS No.: 214760-18-6
• Molecular Formula: C9H6 F N O
• Molecular Weight: 163.151
• Hs Code.: 2926907090
• Mol file: 214760-18-6.mol

Synonyms:4-Acetyl-2-fluorobenzonitrile

Chemical Property of Benzonitrile, 4-acetyl-2-fluoro- (9CI)

Chemical Property:

• Boiling Point: 296.2±25.0 °C(Predicted)
• PSA: 40.86000
• Density: 1.21±0.1 g/cm3(Predicted)
• LogP: 1.89998

Purity/Quality:

97% ^*data from raw suppliers

4-acetyl-2-fluorobenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzonitrile, 4-acetyl-2-fluoro- (9CI)

There total 11 articles about Benzonitrile, 4-acetyl-2-fluoro- (9CI) 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: 98.1%

1-(4-bromo-3-fluorophenyl)ethan-1-one (304445-49-6) + dicyanozinc (557-21-1) → 4-acetyl-2-fluoro-benzonitrile (214760-18-6)

Guidance literature:

With N,N,N,N,-tetramethylethylenediamine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In N,N-dimethyl-formamide; at 160 ℃; for 0.0666667h; Sealed tube; Microwave irradiation;

Reference yield: 96.0%

4-cyano-3-fluoro-N-methoxy-N-methylbenzamide + methylmagnesium bromide (75-16-1) → 4-acetyl-2-fluoro-benzonitrile (214760-18-6)

Guidance literature:

In tetrahydrofuran; diethyl ether; at -78 ℃; for 2h; Inert atmosphere;

Reference yield: 11.0%

tributyl(1-ethoxyvinyl)stannane (97674-02-7) + 4-bromo-6-fluorobenzonitrile (105942-08-3) → 4-acetyl-2-fluoro-benzonitrile (214760-18-6)

Guidance literature:

tributyl(1-ethoxyvinyl)stannane; 4-bromo-6-fluorobenzonitrile; trans-bis(triphenylphosphine)palladium dichloride; In toluene; for 2h; Heating / reflux;

With hydrogenchloride; water; In toluene; for 0.5h;

upstream raw materials:

C₁₁H₁₀FNO

tributyl(1-ethoxyvinyl)stannane

4-bromo-6-fluorobenzonitrile

1-(4-bromo-3-fluorophenyl)ethan-1-one

Downstream raw materials:

4-acetyl-2-fluorobenzoic acid

4-(2-bromoacetyl)-2-fluorobenzonitrile

C₂₅H₂₆ClN₃O₅

C₂₅H₂₆ClN₃O₅