Thioflavone 1,1-dioxide

Base Information

• Chemical Name: Thioflavone 1,1-dioxide
• CAS No.: 22810-28-2
• Molecular Formula: C15H10O3S
• Molecular Weight: 270.309
• DSSTox Substance ID: DTXSID20456308
• Nikkaji Number: J602.443B
• Wikidata: Q82278696
• ChEMBL ID: CHEMBL122199
• Mol file: 22810-28-2.mol

Synonyms:CHEMBL122199;Thioflavone 1,1-dioxide;1,1-dioxo-2-phenylthiochromen-4-one;22810-28-2;DTXSID20456308;BDBM50073412;PD095748;1,1-Dioxo-2-phenyl-1H-1I>>6-thiochromen-4-one;1,1-Dioxo-2-phenyl-1H-1lambda*6*-thiochromen-4-one

Chemical Property of Thioflavone 1,1-dioxide

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 270.03506535
• Heavy Atom Count: 19
• Complexity: 492

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3S2(=O)=O

Technology Process of Thioflavone 1,1-dioxide

There total 19 articles about Thioflavone 1,1-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: 92.0%

1-thioflavone (784-62-3) → 2-phenyl-4H-thiochromen-4-one 1,1-dioxide (22810-28-2)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In dichloromethane; at 20 ℃; for 4h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b03508

Reference yield: 90.8%

2-phenylthiochroman-4-one 1,1-dioxide (58109-94-7) → 2-phenyl-4H-thiochromen-4-one 1,1-dioxide (22810-28-2)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 100 ℃; for 42h;

DOI:10.1080/00397919908086175

Reference yield: 58.0%

2-phenyl-thiochroman-4-one (5962-00-5,110318-31-5) → 2-phenyl-4H-thiochromen-4-one 1,1-dioxide (22810-28-2)

Guidance literature:

With sodium periodate; In water; isopropyl alcohol; for 2h; Heating;

upstream raw materials:

1-thioflavone

1-thioflavone 1-oxide

2-phenyl-thiochroman-4-one

2-phenylthiochroman-4-one 1,1-dioxide

Downstream raw materials:

3-bromo-2-phenylthiochromone 1,1-dioxide

2-benzoylbenzothiophen-3(2H)-one 1,1-dioxide

1-thioflavone thiosemicarbazone 1,1-dioxide

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