4-[(4-Fluorophenyl)thio]butan-2-one

Base Information

Chemical Name:4-[(4-Fluorophenyl)thio]butan-2-one
CAS No.:142038-16-2
Molecular Formula:C10H11FOS
Molecular Weight:198.261
Hs Code.:2930909090
DSSTox Substance ID:DTXSID00566651
Wikidata:Q82452364
Mol file:142038-16-2.mol

Synonyms:142038-16-2;4-[(4-FLUOROPHENYL)THIO]BUTAN-2-ONE;2-Butanone, 4-[(4-fluorophenyl)thio]-;4-((4-Fluorophenyl)thio)butan-2-one;4-(4-fluorophenyl)sulfanylbutan-2-one;4-[(4-Fluorophenyl)sulfanyl]butan-2-one;CHEMBRDG-BB 4011074;SCHEMBL16465461;DTXSID00566651;OBEQFWIFNCWDBF-UHFFFAOYSA-N;4-(4-fluorophenylthio)butan-2-one;MFCD08691520;AKOS009029502;4-[(4-Fluorophenyl)thio]-2-butanone;BS-35716;CS-0272153;EN300-394632;4-[(4-fluorophenyl)thio]butan-2-one, AldrichCPR

Suppliers and Price of 4-[(4-Fluorophenyl)thio]butan-2-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
4-[(4-Fluorophenyl)thio]butan-2-one
500mg
$ 75.00

ChemBridge Corporation
4-[(4-fluorophenyl)thio]butan-2-one 95%
1 g
$ 46.00

American Custom Chemicals Corporation
4-[(4-FLUOROPHENYL)THIO]BUTAN-2-ONE 95.00%
5G
$ 1138.78

American Custom Chemicals Corporation
4-[(4-FLUOROPHENYL)THIO]BUTAN-2-ONE 95.00%
1G
$ 186.90

Total 7 raw suppliers

Chemical Property of 4-[(4-Fluorophenyl)thio]butan-2-one

Chemical Property:

Vapor Pressure:0.00205mmHg at 25°C
Boiling Point:290.6°C at 760 mmHg
Flash Point:129.6°C
PSA：42.37000
Density:1.15g/cm³
LogP:2.89690
XLogP3:2.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:198.05146431
Heavy Atom Count:13
Complexity:164

Purity/Quality:

99%+ ^*data from raw suppliers

4-[(4-Fluorophenyl)thio]butan-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T
Statements: 25
Safety Statements: 45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)CCSC1=CC=C(C=C1)F

Technology Process of 4-[(4-Fluorophenyl)thio]butan-2-one

There total 2 articles about 4-[(4-Fluorophenyl)thio]butan-2-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: 86.0%

: 371-42-6
4-Fluorothiophenol

: 1,3-dioxoisoindolin-2-yl 4-oxopentanoate

: 142038-16-2
3-oxobutyl p-fluorophenyl sulfide

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 20 ℃; for 8h; Schlenk technique; Inert atmosphere; Sealed tube; Irradiation; Green chemistry;
DOI:10.1021/acs.joc.1c01433

Reference yield: 67.5%

: 371-42-6
4-Fluorothiophenol

: 78-94-4,25038-87-3
methyl vinyl ketone

: 142038-16-2
3-oxobutyl p-fluorophenyl sulfide

Guidance literature:: With triethylamine; In tetrahydrofuran; at 0 ℃; for 2h;

Reference yield:

: 142038-16-2
3-oxobutyl p-fluorophenyl sulfide

: 1598407-30-7
6-(2-(4-fluorophenylthio)ethyl)-4-hydroxy-3-mesityl-2H-pyran-2-one

Guidance literature:: Multi-step reaction with 2 steps

1.1: lithium diisopropyl amide / tetrahydrofuran / 0.17 h / -78 °C

1.2: 2.5 h / -78 - 30 °C

2.1: 5,5-dimethyl-1,3-cyclohexadiene / 8 h / Reflux

With lithium diisopropyl amide; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene;