1-(2-Fluoro-3-methoxyphenyl)ethanone

Base Information

• Chemical Name: 1-(2-Fluoro-3-methoxyphenyl)ethanone
• CAS No.: 208777-19-9
• Molecular Formula: C9H9FO2
• Molecular Weight: 168.168
• Hs Code.: 2914790090
• European Community (EC) Number: 891-526-7
• Mol file: 208777-19-9.mol

Synonyms:208777-19-9;2'-fluoro-3'-methoxyacetophenone;1-(2-fluoro-3-methoxyphenyl)ethanone;1-(2-fluoro-3-methoxyphenyl)ethan-1-one;Ethanone, 1-(2-fluoro-3-methoxyphenyl)- (9CI);2-Fluoro-3-methoxyacetophenone;SCHEMBL7787275;2''-Fluoro-3''-methoxyacetophenone;MFCD13194330;AKOS017516237;AS-37303;DB-097450;EN300-257640;1-(2-Fluoro-3-methoxyphenyl)ethan-1-one, 3-Acetyl-2-fluoroanisole

Chemical Property of 1-(2-Fluoro-3-methoxyphenyl)ethanone

Chemical Property:

• PSA: 26.30000
• LogP: 2.03690
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 168.05865769
• Heavy Atom Count: 12
• Complexity: 170

Purity/Quality:

99% ^*data from raw suppliers

2''-Fluoro-3''-methoxyacetophenone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C(=CC=C1)OC)F
• Uses: 2''-Fluoro-3''-methoxyacetophenone

Technology Process of 1-(2-Fluoro-3-methoxyphenyl)ethanone

There total 4 articles about 1-(2-Fluoro-3-methoxyphenyl)ethanone 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: 32.0%

1-fluoro-2-methoxybenzene (321-28-8) + N-Methoxy-N-methylacetamide (78191-00-1) → 1-(2-fluoro-3-methoxyphenyl)ethan-1-one (208777-19-9)

Guidance literature:

1-fluoro-2-methoxybenzene; With n-butyllithium; N,N,N',N'',N'''-pentamethyldiethylenetriamine; In tetrahydrofuran; hexane; at -78 - -70 ℃; for 2h;

N-Methoxy-N-methylacetamide; In tetrahydrofuran; hexane; at -70 - 20 ℃; for 1.91667h;

DOI:10.1002/ejoc.202000424

Reference yield:

1-(2-fluoro-3-methoxyphenyl)ethanol → 1-(2-fluoro-3-methoxyphenyl)ethan-1-one (208777-19-9)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 20 ℃; for 1.5h;

Reference yield:

2-fluoro-3,N-dimethoxy-N-methyl-benzamide (693220-47-2) + methylmagnesium bromide (75-16-1) → 1-(2-fluoro-3-methoxyphenyl)ethan-1-one (208777-19-9)

Guidance literature:

2-fluoro-3,N-dimethoxy-N-methyl-benzamide; methylmagnesium bromide; In tetrahydrofuran; diethyl ether; at 20 ℃; for 2h; Cooling with ice;

With ammonium chloride; In tetrahydrofuran; diethyl ether; water;

upstream raw materials:

2-fluoro-3,N-dimethoxy-N-methyl-benzamide

methylmagnesium bromide

2-fluoro-3-methoxybenzaldehyde

1-fluoro-2-methoxybenzene

Downstream raw materials:

1-(2-fluoro-3-hydroxyphenyl)ethan-1-one

tert-Butyl (3-endo)-3-(3-acetyl-2-fluorophenoxy)-8-azabicyclo[3.2.1]octane-8-carboxylate

Refernces

• 1、 -. "P2X4 RECEPTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF". Paragraph 00207. . Retrieved 2015/06/25.
• 2、 -. "8-AZABICYCLO[3.2.1]OCTANE-8-CARBOXAMIDE DERIVATIVE". Page/Page column 55. . Retrieved 2012/09/11.