4-Methoxy-N-(phenylsulfanyl)aniline

Base Information

• Chemical Name: 4-Methoxy-N-(phenylsulfanyl)aniline
• CAS No.: 63235-31-4
• Molecular Formula: C13H13NOS
• Molecular Weight: 231.318
• DSSTox Substance ID: DTXSID50499900
• Nikkaji Number: J1.231.355A
• Wikidata: Q82351122
• Mol file: 63235-31-4.mol

Synonyms:4-Methoxy-N-(phenylsulfanyl)aniline;63235-31-4;DTXSID50499900

Chemical Property of 4-Methoxy-N-(phenylsulfanyl)aniline

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 231.07178521
• Heavy Atom Count: 16
• Complexity: 186

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)NSC2=CC=CC=C2

Technology Process of 4-Methoxy-N-(phenylsulfanyl)aniline

There total 2 articles about 4-Methoxy-N-(phenylsulfanyl)aniline 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:

4-methoxy-aniline (104-94-9) + benzenesulfenyl chloride (931-59-9) → benzenesulfenic acid p-anisidide (63235-31-4)

Guidance literature:

DOI:10.1021/jo970582b

Reference yield:

thiophenol (108-98-5) → benzenesulfenic acid p-anisidide (63235-31-4)

Guidance literature:

Multi-step reaction with 2 steps

1: sulfuryl chloride / 0.05 h / 0 °C / 15 Torr

2: Et₃N / CH₂Cl₂ / 3 h / 0 °C

With sulfuryl dichloride; triethylamine; In dichloromethane;

DOI:10.1016/0040-4020(96)00799-5

Reference yield: 88.0%

benzenesulfenic acid p-anisidide (63235-31-4) → N-(4-methoxyphenyl)benzenesulfinamide (14934-04-4)

Guidance literature:

With potassium fluoride; 3-chloro-benzenecarboperoxoic acid; In water; acetonitrile; at 0 ℃; for 0.116667h;

DOI:10.1080/00397911.2010.543748

upstream raw materials:

4-methoxy-aniline

benzenesulfenyl chloride

thiophenol

Downstream raw materials:

S-Phenyl benzenethiosulfonate

2,7-dimethoxyphenazine

N-(p-methoxyphenyl)-N'-phenylthio-p-benzoquinone di-imine

N-phenylbis(benzenesulphen)amide