Benzoyl fluoride, 4-acetyl- (9CI)

Base Information

• Chemical Name: Benzoyl fluoride, 4-acetyl- (9CI)
• CAS No.: 77976-03-5
• Molecular Formula: C9H7 F O2
• Molecular Weight: 166.152
• Hs Code.: 2916399090
• Mol file: 77976-03-5.mol

Synonyms:4-Acetylbenzoylfluoride

Chemical Property of Benzoyl fluoride, 4-acetyl- (9CI)

Chemical Property:

• PSA: 34.14000
• LogP: 1.99890

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoyl fluoride, 4-acetyl- (9CI)

There total 4 articles about Benzoyl fluoride, 4-acetyl- (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: 72.0%

4-acetyl-benzoic acid (586-89-0) → 4-acetylbenzoyl fluoride (77976-03-5)

Guidance literature:

4-acetyl-benzoic acid; With N-Bromosuccinimide; In dichloromethane; at 0 - 20 ℃; for 0.366667h; Sealed tube;

With triethylamine tris(hydrogen fluoride); at 20 ℃; for 2h;

DOI:10.1021/acs.orglett.9b00197

Reference yield: 53.0%

4-Iodoacetophenone (13329-40-3) + carbon monoxide (201230-82-2) + ethyl(difluoro)(4-methylphenyl)silane (126485-51-6) → 4-acetylbenzoyl fluoride (77976-03-5) + 1-(4-(4-methylbenzoyl)phenyl)ethan-1-one (127118-95-0) + acetophenone (98-86-2)

Guidance literature:

With potassium fluoride; bis(η3-allyl-μ-chloropalladium(II)); In N,N-dimethyl-formamide; for 3h; under 760 Torr; Product distribution; Mechanism; other arylfluorosilanes, other solvents, other catalysts, other temperatures, other pressures of CO, other products;

Reference yield:

3-oxobenzo[d]isothiazole-2(3H)-carbaldehyde 1,1-dioxide (50978-45-5) + para-bromoacetophenone (99-90-1) → 4-acetylbenzoyl fluoride (77976-03-5)

Guidance literature:

With potassium fluoride; palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In N,N-dimethyl-formamide; at 80 ℃; Inert atmosphere; Sealed tube;

DOI:10.1021/ol4026815

upstream raw materials:

4-Iodoacetophenone

carbon monoxide

ethyl(difluoro)(4-methylphenyl)silane

4-acetyl-benzoic acid

Refernces

• 1、 -. "METHOD AND REAGENT FOR DEOXYFLUORINATION". Paragraph 0111-0112; 0114-0115; 0118. . Retrieved 2021/05/29.
• 2、 Ueda, Tsuyoshi,Konishi, Hideyuki,Manabe, Kei. "Palladium-catalyzed fluorocarbonylation using N-formylsaccharin as CO source: General access to carboxylic acid derivatives". supporting information. p. 5370 - 5373. Retrieved 2013/11/06.