7-(Trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide

Base Information

Chemical Name:7-(Trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide
CAS No.:72719-73-4
Molecular Formula:C₁₂H₆F₃NO₃S
Molecular Weight:301.246
Hs Code.:
DSSTox Substance ID:DTXSID10223021
Wikidata:Q83101386
ChEMBL ID:CHEMBL324702

Synonyms:BRN 5589033;7-(Trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide;72719-73-4;Pyrido(3,2-b)(1,4)benzoxathiin, 7-(trifluoromethyl)-, 10,10-dioxide;7-(Trifluoromethyl)pyrido(3,2-b)(1,4)benzoxathiin 10,10-dioxide;(1,4)Benzoxathiino(3,2-b)pyridine, 7-(trifluoromethyl)-, 10,10-dioxide;CHEMBL324702;DTXSID10223021;C12-H6-F3-N-O3-S;LS-133254

Suppliers and Price of 7-(Trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 7-(Trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide

Chemical Property:

Vapor Pressure:4.21E-07mmHg at 25°C
Boiling Point:427°Cat760mmHg
Flash Point:212.1°C
Density:1.581g/cm³
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:0
Exact Mass:301.00204871
Heavy Atom Count:20
Complexity:473

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(N=C1)S(=O)(=O)C3=C(O2)C=C(C=C3)C(F)(F)F

Technology Process of 7-(Trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide

There total 3 articles about 7-(Trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide 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: 33.0%

: 72719-63-2
7-(trifluoromethyl)-1-azaphenoxathiin

: 72719-73-4
7-(trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide

Guidance literature:: With dihydrogen peroxide; In acetic acid; for 0.25h; Heating;
DOI:10.1021/jm00177a028

Reference yield:

: 23003-22-7
2-mercapto-3-pyridinol

: 72719-73-4
7-(trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / NEt₃ / dimethylformamide / 18 h / Heating

2: 33 percent / 12percent aq. H₂O₂ / acetic acid / 0.25 h / Heating

With dihydrogen peroxide; triethylamine; In acetic acid; N,N-dimethyl-formamide;
DOI:10.1021/jm00177a028

Reference yield:

: 121-17-5
2-chloro-3-nitro-5-trifluoromethylbenzene

: 72719-73-4
7-(trifluoromethyl)-1-azaphenoxathiin 10,10-dioxide

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / NEt₃ / dimethylformamide / 18 h / Heating

2: 33 percent / 12percent aq. H₂O₂ / acetic acid / 0.25 h / Heating

With dihydrogen peroxide; triethylamine; In acetic acid; N,N-dimethyl-formamide;
DOI:10.1021/jm00177a028