S-(4-Methoxyphenyl) 4-methylbenzene-1-sulfonothioate

Base Information

• Chemical Name: S-(4-Methoxyphenyl) 4-methylbenzene-1-sulfonothioate
• CAS No.: 80472-59-9
• Molecular Formula: C14H14O3S2
• Molecular Weight: 294.395
• DSSTox Substance ID: DTXSID00512476
• Nikkaji Number: J1.729.410E,J3.470.747B
• Wikidata: Q82371717
• Mol file: 80472-59-9.mol

Synonyms:80472-59-9;DTXSID00512476;S-(4-Methoxyphenyl) 4-methylbenzene-1-sulfonothioate

Chemical Property of S-(4-Methoxyphenyl) 4-methylbenzene-1-sulfonothioate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 294.03843665
• Heavy Atom Count: 19
• Complexity: 359

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of S-(4-Methoxyphenyl) 4-methylbenzene-1-sulfonothioate

There total 22 articles about S-(4-Methoxyphenyl) 4-methylbenzene-1-sulfonothioate 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: 96.1%

methoxybenzene (100-66-3) + SS-morpholino 4-toluene(dithioperoxo)sulfonate (84655-87-8) → S-(4-methoxyphenyl) (4-methylbenzene)thiosulfonate (80472-59-9)

Guidance literature:

With trifluoroacetic acid; In dichloromethane; at 20 ℃; for 16h; Reagent/catalyst; Solvent; Inert atmosphere;

DOI:10.1021/acs.orglett.0c04289

Reference yield: 93.1%

4,4'-dimethoxyphenyl disulfide (5335-87-5) + sodium 4-methylbenzenesulfinate (824-79-3) → S-(4-methoxyphenyl) (4-methylbenzene)thiosulfonate (80472-59-9)

Guidance literature:

With iodine; In dichloromethane; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c7cc05868c

Reference yield: 89.0%

4-Methoxybenzenethiol (696-63-9) + sodium 4-methylbenzenesulfonothioate (3753-27-3) → S-(4-methoxyphenyl) (4-methylbenzene)thiosulfonate (80472-59-9)

Guidance literature:

4-Methoxybenzenethiol; 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

upstream raw materials:

morpholino p-toluenesulfonyl sulfide

p-toluenesulfonyl iodide

sodium 4-methoxyphenylthiolate

4,4'-dimethoxyphenyl thiosulfonate

Downstream raw materials:

di(p-tolyl) disulfide

4,4'-dimethoxyphenyl disulfide

di(4-methyl)phenylthiosulfonate

1-(4-methylphenyldisulfanyl)-4-methoxybenzene

Refernces

• 1、 Kumari, Arram Haritha,Kumar, Jangam Jagadesh,Krishna, Gamidi Rama,Reddy, Raju Jannapu. "Nickel-Catalyzed Difunctionalization of Alkynyl Bromides with Thiosulfonates and N -Arylthio Succinimides: A Convenient Synthesis of 1,2-Thiosulfonylethenes and 1,1-Dithioethenes". supporting information. p. 2850 - 2864. Retrieved 2021/05/18.
• 2、 Huang, Cheng-Mi,Li, Jian,Wang, Shun-Yi,Ji, Shun-Jun. "TFA promoted multi-component reaction of aryldiazonium with sodium metabisulphite and thiols: Construction of thiosulfonate under transition-metal free conditions". supporting information. p. 1923 - 1926. Retrieved 2020/01/13.