S-(p-Nitrophenyl) p-toluenethiosulfonate

Base Information

• Chemical Name: S-(p-Nitrophenyl) p-toluenethiosulfonate
• CAS No.: 17046-97-8
• Molecular Formula: C13H11 N O4 S2
• Molecular Weight: 309.367
• NSC Number: 124783
• DSSTox Substance ID: DTXSID00937766
• Nikkaji Number: J1.379.991A
• Wikidata: Q82913981
• Mol file: 17046-97-8.mol

Synonyms:17046-97-8;NSC124783;SCHEMBL7115923;DTXSID00937766;NSC-124783;S-(4-Nitrophenyl) 4-methylbenzene-1-sulfonothioate

Chemical Property of S-(p-Nitrophenyl) p-toluenethiosulfonate

Chemical Property:

• Vapor Pressure: 1.33E-09mmHg at 25°C
• Boiling Point: 499°Cat760mmHg
• Flash Point: 255.6°C
• Density: 1.46g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 309.01295018
• Heavy Atom Count: 20
• Complexity: 424

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)S(=O)(=O)SC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of S-(p-Nitrophenyl) p-toluenethiosulfonate

There total 13 articles about S-(p-Nitrophenyl) p-toluenethiosulfonate 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: 85.0%

sodium 4-methylbenzenesulfonothioate (3753-27-3) + para-nitrobenzenethiol (1849-36-1) → S-(4-nitrophenyl) 4-methylbenzenesulfonothioate (17046-97-8)

Guidance literature:

para-nitrobenzenethiol; With dihydrogen peroxide; sodium iodide; In ethyl acetate; at 20 ℃; for 0.5h;

sodium 4-methylbenzenesulfonothioate; With iodine; In dichloromethane; at 20 ℃;

DOI:10.1002/chem.201900932

Reference yield: 75.0%

1-[(4-nitrophenyl)sulfanyl]pyrrolidine-2,5-dione (17796-89-3) + sodium 4-methylbenzenesulfinate (824-79-3) → S-(4-nitrophenyl) 4-methylbenzenesulfonothioate (17046-97-8)

Guidance literature:

With scandium tris(trifluoromethanesulfonate); In water; at 30 ℃; for 2h; Reagent/catalyst; Catalytic behavior; Ionic liquid;

DOI:10.1016/j.tetlet.2012.09.132

Reference yield: 69.0%

di(p-nitrophenyl) disulfide (100-32-3) + sodium 4-methylbenzenesulfinate (824-79-3) → S-(4-nitrophenyl) 4-methylbenzenesulfonothioate (17046-97-8)

Guidance literature:

With copper(l) iodide; 1,10-Phenanthroline; ammonium tetrafluoroborate; oxygen; In N,N-dimethyl acetamide; water; at 30 ℃; for 36h;

DOI:10.1021/jo5026805

upstream raw materials:

4-nitrophenyl p-tolyl disulfide

4-nitrobenzenesulfenyl chloride

potassium thiotosylate

methyl 4-nitrophenyl disulphide

Downstream raw materials:

S-(4-nitrophenyl) 4-methylbenzothioate

1-[(4-nitrophenyl)thio]piperidine