1-Fluoro-1-(phenylthio)-2-propanone

Base Information

Chemical Name:1-Fluoro-1-(phenylthio)-2-propanone
CAS No.:130612-85-0
Molecular Formula:C₉H₉FOS
Molecular Weight:184.234
Hs Code.:
DSSTox Substance ID:DTXSID301292461
Nikkaji Number:J361.314C

Synonyms:DTXSID301292461;1-Fluoro-1-(phenylthio)-2-propanone;130612-85-0

Suppliers and Price of 1-Fluoro-1-(phenylthio)-2-propanone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-Fluoro-1-(phenylthio)-2-propanone

Chemical Property:

XLogP3:2.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:184.03581424
Heavy Atom Count:12
Complexity:155

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)C(F)SC1=CC=CC=C1

Technology Process of 1-Fluoro-1-(phenylthio)-2-propanone

There total 10 articles about 1-Fluoro-1-(phenylthio)-2-propanone 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: 91.0%

: 28195-10-0
(E)-4-hydroxy-3-(phenylthio)pent-3-en-2-one

: 3-fluoro-3-(phenylthio)pentane-2,4-dione

: 130612-85-0
α-Fluoro-α-(phenylthio)acetone

Guidance literature:: (E)-4-hydroxy-3-(phenylthio)pent-3-en-2-one; With caesium carbonate; In ethyl acetate; at 20 ℃; for 2h;

With N-fluorobis(benzenesulfon)imide; In ethyl acetate; at 20 ℃; for 3h; Solvent; Reagent/catalyst; Cooling with ice;
DOI:10.1021/acs.joc.7b01547

Reference yield: 88.0%

: 28195-10-0
(E)-4-hydroxy-3-(phenylthio)pent-3-en-2-one

: 130612-85-0
α-Fluoro-α-(phenylthio)acetone

Guidance literature:: (E)-4-hydroxy-3-(phenylthio)pent-3-en-2-one; With caesium carbonate; In acetonitrile; at 20 ℃; for 2h;

With N-fluorobis(benzenesulfon)imide; In acetonitrile; at 20 ℃; for 3h; Cooling with ice;
DOI:10.1021/acs.joc.7b01547

Reference yield: 80.0%

: 5042-53-5
1-(phenylsulfanyl)acetone

: 130612-85-0
α-Fluoro-α-(phenylthio)acetone

Guidance literature:: With triethylamine tris(hydrogen fluoride); In acetonitrile; at 20 ℃; electrolysis at 1.6 - 1.8 V anodic potential (platinum anode and cathode);
DOI:10.1021/jo00312a006