2-[4-(Methylsulfanyl)phenyl]benzonitrile

Base Information

Chemical Name:2-[4-(Methylsulfanyl)phenyl]benzonitrile
CAS No.:171879-75-7
Molecular Formula:C₁₄H₁₁NS
Molecular Weight:225.314
Hs Code.:2930909090
DSSTox Substance ID:DTXSID70362723
Wikidata:Q82146070
Mol file:171879-75-7.mol

Synonyms:171879-75-7;2-[4-(Methylsulfanyl)phenyl]benzonitrile;4'-(Methylthio)-[1,1'-biphenyl]-2-carbonitrile;2-(4-methylsulfanylphenyl)benzonitrile;4'-(Methylsulfanyl)[1,1'-biphenyl]-2-carbonitrile;DTXSID70362723;WGA87975;MFCD05981388;AKOS004118619;BS-25161;BB 0223801

Suppliers and Price of 2-[4-(Methylsulfanyl)phenyl]benzonitrile

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
2-[4-(Methylsulfanyl)phenyl]benzonitrile
500mg
$ 90.00

TRC
2-[4-(Methylsulfanyl)phenyl]benzonitrile
100mg
$ 60.00

TRC
2-[4-(Methylsulfanyl)phenyl]benzonitrile
50mg
$ 45.00

Crysdot
4'-(Methylthio)-[1,1'-biphenyl]-2-carbonitrile 95+%
25g
$ 565.00

American Custom Chemicals Corporation
4'-(METHYLTHIO)-[1,1'-BIPHENYL]-2-CARBONITRILE 95.00%
5MG
$ 495.87

AK Scientific
4'-(Methylthio)-[1,1'-biphenyl]-2-carbonitrile
1g
$ 131.00

Total 3 raw suppliers

Chemical Property of 2-[4-(Methylsulfanyl)phenyl]benzonitrile

Chemical Property:

PSA：49.09000
LogP:3.94718
Storage Temp.:2-8°C
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:225.06122053
Heavy Atom Count:16
Complexity:259

Purity/Quality:

≥99% ^*data from raw suppliers

2-[4-(Methylsulfanyl)phenyl]benzonitrile ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSC1=CC=C(C=C1)C2=CC=CC=C2C#N

Technology Process of 2-[4-(Methylsulfanyl)phenyl]benzonitrile

There total 1 articles about 2-[4-(Methylsulfanyl)phenyl]benzonitrile 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:

: 104-95-0
(4-bromophenyl)thioanisole

: 2042-37-7
o-cyanobromobenzene

: 171879-75-7
2-(4-(methylthio)phenyl)benzonitrile

Guidance literature:: With hydrogenchloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; n-butyllithium; Triisopropyl borate; sodium carbonate; Yield given. Multistep reaction;
DOI:10.1021/jm00023a006

Reference yield:

: 171879-75-7
2-(4-(methylthio)phenyl)benzonitrile

: 4'-((2-methyl-4-quinolinyl)sulfonyl)-2-biphenylcarbonitrile N'-oxide

Guidance literature:: Multi-step reaction with 4 steps

1: 83 percent / 3-chloroperoxybenzoic acid / CH₂Cl₂ / 2.42 h / -78 °C

2: 0.5 h / Heating

3: 70 percent / Et₃N / methanol / 1 h / Heating

4: 11 percent / 3-chloroperoxybenzoic acid / CH₂Cl₂ / a) 0 deg C, 2 d, b) reflux, 3 h, c) RT, 12 h, d) reflux, 4 h

With triethylamine; 3-chloro-benzenecarboperoxoic acid; In methanol; dichloromethane;
DOI:10.1021/jm00023a006

Reference yield:

: 171879-75-7
2-(4-(methylthio)phenyl)benzonitrile

: 2-Methyl-4-[2'-(2H-tetrazol-5-yl)-biphenyl-4-ylsulfanyl]-quinazoline

Guidance literature:: Multi-step reaction with 4 steps

1: 83 percent / 3-chloroperoxybenzoic acid / CH₂Cl₂ / 2.42 h / -78 °C

2: 0.5 h / Heating

3: 73 percent / Et₃N / methanol / 1 h / Heating

4: 1.) trimethyltin azide, 2.) silica gel / 1.) toluene, reflux

With trimethyltin azide; silica gel; triethylamine; 3-chloro-benzenecarboperoxoic acid; In methanol; dichloromethane;
DOI:10.1021/jm00023a006