4-Phenylthioanisole

Base Information

• Chemical Name: 4-Phenylthioanisole
• CAS No.: 19813-76-4
• Molecular Formula: C13H12S
• Molecular Weight: 200.304
• DSSTox Substance ID: DTXSID50452136
• Nikkaji Number: J1.042.603K
• Wikidata: Q82272547

Synonyms:4-phenylthioanisole;19813-76-4;4-(Methylthio)biphenyl;[1,1'-Biphenyl]-4-yl(methyl)sulfane;1-(METHYLSULFANYL)-4-PHENYLBENZENE;4'-methylthiobiphenyl;SCHEMBL403028;1-methylsulfanyl-4-phenylbenzene;DTXSID50452136;LXINKRZIJMGCDO-UHFFFAOYSA-N;4-(methylsulfanyl)-1,1'-biphenyl;MFCD11617798;AKOS008762199

Chemical Property of 4-Phenylthioanisole

Chemical Property:

• XLogP3: 4.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 200.06597156
• Heavy Atom Count: 14
• Complexity: 153

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)C2=CC=CC=C2

Technology Process of 4-Phenylthioanisole

There total 10 articles about 4-Phenylthioanisole 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: 84.0%

(4-bromophenyl)thioanisole (104-95-0) + phenylboronic acid (98-80-6) → biphenyl (92-52-4,1594-86-1) + 4-phenylthioanisole (19813-76-4)

Guidance literature:

With sodium carbonate; In ethanol; water; at 80 ℃; for 4h;

DOI:10.1007/s13738-012-0188-y

Reference yield: 73.0%

Dimethyldisulphide (624-92-0) + 4-(4-bromophenyl)bromobenzene (92-86-4) → 4-bromo-1,1'-biphenyl (92-66-0) + 4-phenylthioanisole (19813-76-4) + 4,4'-bis(methylsulfanyl)biphenyl (10075-90-8) + (4’-bromo-[1,1’-biphenyl]-4-yl)(methyl)sulfane (3393-00-8)

Guidance literature:

4-(4-bromophenyl)bromobenzene; With tri-n-butyllithium magnesate complex; In tetrahydrofuran; hexane; at 0 - 4.4 ℃; for 3.25h;

Dimethyldisulphide; In tetrahydrofuran; hexane; at 0 - 7.4 ℃; for 16.75h;

DOI:10.1016/j.tet.2006.03.039

Reference yield: 45.0%

4-chlorophenyl methyl sulfide (123-09-1) + phenylmagnesium bromide → [1,1';4',1'']terphenyl (92-94-4,94363-13-0) + 4-phenylthioanisole (19813-76-4)

Guidance literature:

bis(triphenylphosphine)nickel(II) chloride; In benzene; at 25 ℃; for 2.5h;

DOI:10.1016/S0040-4039(00)85672-5

upstream raw materials:

4-chlorophenyl methyl sulfide

4-(Methylthio)-phenyl isopropyl sulphide

diphenyldisulfane

4-methylsulfanylaniline

Downstream raw materials:

4-(methylsulfonyl)-1,1′-biphenyl

4-allylbiphenyl

2-(4-biphenylyl)benzoxazole

2-(biphenyl-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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