Ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate

Base Information

Chemical Name:Ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate
CAS No.:81116-48-5
Molecular Formula:C₂₂H₁₆O₅S₂
Molecular Weight:424.498
Hs Code.:
European Community (EC) Number:279-690-2
DSSTox Substance ID:DTXSID001001786
Nikkaji Number:J296.067B
Wikidata:Q82995793
Mol file:81116-48-5.mol

Synonyms:81116-48-5;Ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate;EINECS 279-690-2;SCHEMBL51954;C22H16O5S2;DTXSID001001786;C22-H16-O5-S2;9-Oxo-3-phenylsulfonyl-9H-thioxanthene-1-carboxylic acid ethyl ester;ETHYL 3-(BENZENESULFONYL)-9-OXO-9H-THIOXANTHENE-1-CARBOXYLATE

Suppliers and Price of Ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate

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 8 raw suppliers

Chemical Property of Ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate

Chemical Property:

Vapor Pressure:4.23E-17mmHg at 25°C
Boiling Point:656.3°C at 760 mmHg
Flash Point:350.7°C
PSA：114.13000
Density:1.392g/cm³
LogP:5.50500
XLogP3:4.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:5
Exact Mass:424.04391595
Heavy Atom Count:29
Complexity:722

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C2C(=CC(=C1)S(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4C2=O

Technology Process of Ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate

There total 5 articles about Ethyl 9-oxo-3-(phenylsulphonyl)-9H-thioxanthene-1-carboxylate 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: 79.0%

: 873-55-2
sodium benzenesulfonate

: 81116-45-2
ethyl 3-nitro-9-oxo-9H-thioxanthene-1-carboxylate

: 81116-48-5
ethyl 3-phenylsulfonyl-9-oxo-9H-thioxanthene-1-carboxylate

Guidance literature:: In N,N-dimethyl-formamide; at 120 ℃; for 2h;
DOI:10.1002/hlca.19850680406

Reference yield:

: 81116-24-7
3-nitro-9-oxo-9H-thioxanthene-1-carboxylic acid

: 81116-48-5
ethyl 3-phenylsulfonyl-9-oxo-9H-thioxanthene-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: 75 percent / conc. H₂SO₄ / Heating

2: 79 percent / dimethylformamide / 2 h / 120 °C

With sulfuric acid; In N,N-dimethyl-formamide;
DOI:10.1002/hlca.19850680406

Reference yield:

: 81116-57-6
5-nitro-3-(phenylthio)phthalic acid

: 81116-48-5
ethyl 3-phenylsulfonyl-9-oxo-9H-thioxanthene-1-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 71 percent / polyphosphoric acid / 5 h / 200 °C

2: 75 percent / conc. H₂SO₄ / Heating

3: 79 percent / dimethylformamide / 2 h / 120 °C

With PPA; sulfuric acid; In N,N-dimethyl-formamide;
DOI:10.1002/hlca.19850680406