1-(2-Fluorophenyl)prop-2-en-1-one

Base Information

• Chemical Name: 1-(2-Fluorophenyl)prop-2-en-1-one
• CAS No.: 89638-21-1
• Molecular Formula: C9H7FO
• Molecular Weight: 150.152
• DSSTox Substance ID: DTXSID10595992
• Nikkaji Number: J2.744.130K
• Wikidata: Q82491114

Synonyms:1-(2-Fluorophenyl)prop-2-en-1-one;89638-21-1;1-(2-Fluorophenyl)-2-propen-1-one;SCHEMBL118109;DTXSID10595992;WZJUWQBNLUCPDO-UHFFFAOYSA-N;AKOS014912224;1-(2-fluorophenyl)-prop-2-en-1-one;1-(2-fluorophenyl)-prop -2-en-1-one;CS-0255769;2-propenal,3-(3-fluorophenyl)-,(2z)-(9ci);F13144;EN300-1248918

Chemical Property of 1-(2-Fluorophenyl)prop-2-en-1-one

Chemical Property:

• PSA: 17.07000
• LogP: 2.19440
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 150.048093005
• Heavy Atom Count: 11
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

1-(2-Fluorophenyl)prop-2-en-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CC(=O)C1=CC=CC=C1F

Technology Process of 1-(2-Fluorophenyl)prop-2-en-1-one

There total 4 articles about 1-(2-Fluorophenyl)prop-2-en-1-one 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: 58.4%

2-fluoro-N-methoxy-N-methyl-benzamide (198967-24-7) + vinyl magnesium bromide (1826-67-1) → 1-(2-fluorophenyl)-prop-2-en-1-one (89638-21-1)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃;

Reference yield: 54.0%

1-(2-fluorophenyl)-2-propen-1-ol (58824-51-4) → 1-(2-fluorophenyl)-prop-2-en-1-one (89638-21-1)

Guidance literature:

With Jones reagent; In acetone; for 0.25h; Inert atmosphere;

DOI:10.1002/jhet.70

Reference yield:

N,N-dimethyl acetamide (127-19-5,116057-81-9) + 2'-Fluoroacetophenone (445-27-2) → 1-(2-fluorophenyl)-prop-2-en-1-one (89638-21-1)

Guidance literature:

With dipotassium peroxodisulfate; ferric chloride hexahydrate; at 100 ℃; for 5h;

upstream raw materials:

1-(2-fluorophenyl)-2-propen-1-ol

2-fluoro-N-methoxy-N-methyl-benzamide

vinyl magnesium bromide

N,N-dimethyl acetamide

Downstream raw materials:

1-(2-Fluoro-phenyl)-5-methyl-hexane-1,4-dione

2-Amino-3-(2-fluoro-benzoyl)-5,6-dimethyl-benzonitrile

4-(2-Fluoro-phenyl)-6,7-dimethyl-quinazoline-8-carbonitrile

4-(2-Fluoro-phenyl)-6,7-dimethyl-2-oxo-1,2-dihydro-quinazoline-8-carbonitrile

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