2-(4-Methylsulfanylphenyl)chromen-4-one

Base Information

• Chemical Name: 2-(4-Methylsulfanylphenyl)chromen-4-one
• CAS No.: 215999-35-2
• Molecular Formula: C16H12O2S
• Molecular Weight: 268.336
• DSSTox Substance ID: DTXSID60390555
• Nikkaji Number: J1.753.875F
• Wikidata: Q82187407
• ChEMBL ID: CHEMBL1454747

Synonyms:MLS000089864;SMR000024482;2-[4-(methylthio)phenyl]-4H-chromen-4-one;2-(4-methylsulfanylphenyl)chromen-4-one;HMS1480I11;215999-35-2;4'-methylsulfanylflavone;4'-(Methylthio)flavone;ChemDiv3_002651;4H-1-Benzopyran-4-one, 2-[4-(methylthio)phenyl]-;SCHEMBL6974228;CHEMBL1454747;BDBM93719;cid_3245800;DTXSID60390555;2-[4-(methylthio)phenyl]chromone;HMS2479L23;STL290816;AKOS022121011;2-[4-(methylthio)phenyl]-1-benzopyran-4-one;2-[4-(methylsulfanyl)phenyl]-4H-chromen-4-one;SR-01000471686;SR-01000471686-1;BRD-K37880583-001-01-0

Chemical Property of 2-(4-Methylsulfanylphenyl)chromen-4-one

Chemical Property:

• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 268.05580079
• Heavy Atom Count: 19
• Complexity: 369

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1=CC=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2

Technology Process of 2-(4-Methylsulfanylphenyl)chromen-4-one

There total 6 articles about 2-(4-Methylsulfanylphenyl)chromen-4-one 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: 81.0%

carbon monoxide (201230-82-2) + (4-bromophenyl)thioanisole (104-95-0) + o-hydroxyacetophenone (118-93-4,104809-67-8) → (4-(methylthio)phenyl)-4H-1-benzopyran-4-one (215999-35-2)

Guidance literature:

With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene; 1,4-di(diphenylphosphino)-butane; In dimethyl sulfoxide; at 120 ℃; for 16h; under 3750.38 Torr; Autoclave;

DOI:10.1002/chem.201202141

Reference yield: 80.0%

2'-hydroxy-4-(methylthio)chalcone → (4-(methylthio)phenyl)-4H-1-benzopyran-4-one (215999-35-2)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 180 ℃; for 1.5h; Heating / reflux;

Reference yield:

(E)-1-(2-Hydroxy-phenyl)-3-(4-methylsulfanyl-phenyl)-propenone (936372-02-0) → (4-(methylthio)phenyl)-4H-1-benzopyran-4-one (215999-35-2)

Guidance literature:

With iodine; In dimethyl sulfoxide; Heating;

DOI:10.1016/S0960-894X(02)00952-6

upstream raw materials:

(E)-1-(2-Hydroxy-phenyl)-3-(4-methylsulfanyl-phenyl)-propenone

o-hydroxyacetophenone

4-(Methylthio)benzaldehyde

carbon monoxide

Downstream raw materials:

3-bromo-2-(4-(methylthio)phenyl)-4H-1-benzopyran-4-one

3-bromo-4'-methylsulfinylflavone

2-(4-(methylsulfonyl)phenyl)-3-(3-pyridinyl)-4H-1-benzopyran-4-one

3-iodo-2-(4-(methylsulfonyl)phenyl)-4H-1-benzopyran-4-one

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