1,2-Benzenedicarbothioic acid, s,s-diphenyl ester

Base Information

• Chemical Name: 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester
• CAS No.: 42797-33-1
• Molecular Formula: C20H14O2S2
• Molecular Weight: 350.462
• DSSTox Substance ID: DTXSID60195481
• Nikkaji Number: J2.908.640K
• Wikidata: Q83068430
• Mol file: 42797-33-1.mol

Synonyms:1,2-Benzenedicarbothioic acid, s,s-diphenyl ester;1-S,2-S-diphenyl benzene-1,2-dicarbothioate;42797-33-1;DTXSID60195481;S~1~,S~2~-diphenyl 1,2-benzenedicarbothioate;1,2-Benzenedicarbothioic acid S,S-diphenyl ester;AQ-776/40210939

Chemical Property of 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester

Chemical Property:

• Vapor Pressure: 5.01E-10mmHg at 25°C
• Boiling Point: 497.3°Cat760mmHg
• Flash Point: 211°C
• PSA: 84.74000
• Density: 1.32g/cm³
• LogP: 5.55160
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 350.04352203
• Heavy Atom Count: 24
• Complexity: 385

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SC(=O)C2=CC=CC=C2C(=O)SC3=CC=CC=C3

Technology Process of 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester

There total 2 articles about 1,2-Benzenedicarbothioic acid, s,s-diphenyl ester 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: 94.0%

thiophenol (108-98-5) + Phthaloyl dichloride (88-95-9) → 1,2-bis(phenyl thioester)benzene (42797-33-1)

Guidance literature:

With sodium methylate; In methanol; at 0 ℃;

DOI:10.1021/jo9604402

Reference yield:

phthalic anhydride (85-44-9) + thiophenol (108-98-5) → 1,2-bis(phenyl thioester)benzene (42797-33-1) + 3,3-bis(phenylthio)isobenzofuran-1(3H)-one (4792-31-8)

Guidance literature:

DOI:10.1021/ja01602a044

Reference yield: 87.0%

1,2-bis(phenyl thioester)benzene (42797-33-1) → 3-(phenylsulfanyl)isobenzofuran-1(3H)-one (51287-54-8) + 3,3-bis(phenylthio)isobenzofuran-1(3H)-one (4792-31-8) + diphenyldisulfane (882-33-7)

Guidance literature:

With tetra-(n-butyl)ammonium iodide; In N,N-dimethyl-formamide; for 1h; -1.05 V vs. Ag/AgI;

upstream raw materials:

thiophenol

Phthaloyl dichloride

phthalic anhydride

Downstream raw materials:

3-(phenylsulfanyl)isobenzofuran-1(3H)-one

3,3-bis(phenylthio)isobenzofuran-1(3H)-one

diphenyldisulfane

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