4-Methyl-2-(phenylsulfanyl)benzoic acid

Base Information

Chemical Name:4-Methyl-2-(phenylsulfanyl)benzoic acid
CAS No.:90133-36-1
Molecular Formula:C₁₄H₁₂O₂S
Molecular Weight:244.314
Hs Code.:
DSSTox Substance ID:DTXSID701294857

Synonyms:4-methyl-2-(phenylsulfanyl)benzoic acid;90133-36-1;4-methyl-2-phenylsulfanylbenzoic acid;DTXSID701294857;4-Methyl-2-(phenylthio)benzoic acid;AKOS011998093;4-methyl-2-(phenylsulfanyl)benzoicacid;EN300-133827;Z995152308

Suppliers and Price of 4-Methyl-2-(phenylsulfanyl)benzoic acid

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

Total 3 raw suppliers

Chemical Property of 4-Methyl-2-(phenylsulfanyl)benzoic acid

Chemical Property:

XLogP3:4.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:244.05580079
Heavy Atom Count:17
Complexity:261

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=CC(=C(C=C1)C(=O)O)SC2=CC=CC=C2

Technology Process of 4-Methyl-2-(phenylsulfanyl)benzoic acid

There total 3 articles about 4-Methyl-2-(phenylsulfanyl)benzoic acid 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%

: 90133-35-0
4-methyl-2-(phenylthio)benzonitrile

: 90133-36-1
4-methyl-2-(phenylthio)benzoic acid

Guidance literature:: With sodium hydroxide; 2-methoxy-ethanol; for 5h; Heating;
DOI:10.1021/jo00187a033

Reference yield:

2-bromo-p-toluidine: 583-68-6
2-bromo-p-toluidine

: 90133-36-1
4-methyl-2-(phenylthio)benzoic acid

Guidance literature:: Multi-step reaction with 3 steps

2: 87 percent / Na₂CO₃, HMPA / 5 h / 110 °C

3: 84 percent / NaOH, methyl Cellosolve / 5 h / Heating

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydroxide; 2-methoxy-ethanol; sodium carbonate;
DOI:10.1021/jo00187a033

Reference yield:

: 42872-73-1
4-methyl-2-bromobenzonitrile

: 90133-36-1
4-methyl-2-(phenylthio)benzoic acid

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / Na₂CO₃, HMPA / 5 h / 110 °C

2: 84 percent / NaOH, methyl Cellosolve / 5 h / Heating

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydroxide; 2-methoxy-ethanol; sodium carbonate;
DOI:10.1021/jo00187a033