2-Benzoyl-4H-1-benzopyran-4-one

Base Information

• Chemical Name: 2-Benzoyl-4H-1-benzopyran-4-one
• CAS No.: 51685-51-9
• Molecular Formula: C16H10O3
• Molecular Weight: 250.254
• DSSTox Substance ID: DTXSID90508924
• Nikkaji Number: J1.240.240F
• Wikidata: Q82366156
• Mol file: 51685-51-9.mol

Synonyms:51685-51-9;2-Benzoyl-4H-chromen-4-one;2-Benzoyl-4H-1-benzopyran-4-one;2-benzoylchromone;2-Benzoyl-chromone;SCHEMBL4688215;DTXSID90508924;CYEWOGGFJNAXMQ-UHFFFAOYSA-N

Chemical Property of 2-Benzoyl-4H-1-benzopyran-4-one

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 250.062994177
• Heavy Atom Count: 19
• Complexity: 404

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Benzoyl-4H-1-benzopyran-4-one

There total 8 articles about 2-Benzoyl-4H-1-benzopyran-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: 88.0%

4-oxo-4H-chromene-2-carbonyl chloride (5112-47-0) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 2-benzoyl-1-benzopyran-4-one (51685-51-9)

Guidance literature:

With aluminium trichloride; at 10 ℃; for 6h;

Reference yield: 78.0%

1-benzopyran-4(4H)-one (491-38-3) + benzoyl chloride (98-88-4) → 2-benzoyl-1-benzopyran-4-one (51685-51-9)

Guidance literature:

1-benzopyran-4(4H)-one; With bis(2,2,6,6-tetramethylpiperidinyl)zinc, lithium chloride, magnesium chloride complex; In tetrahydrofuran; at -30 ℃; for 1h; Inert atmosphere;

With CuCN*2LiCl₂; In tetrahydrofuran; at -40 ℃; for 0.5h; Inert atmosphere;

benzoyl chloride; In tetrahydrofuran; at -40 - -10 ℃; for 2h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ja306178q

Reference yield: 76.0%

2-benzoyl-3,4-dihydro-2H-benzopyran (1191064-97-7) → 2-benzoyl-1-benzopyran-4-one (51685-51-9)

Guidance literature:

With water; acetic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 4h; Reflux;

upstream raw materials:

2-ethyl-4-oxo-4H-1-benzopyran-4-one

4-oxo-4H-chromene-2-carbonyl chloride

benzene

o-hydroxyacetophenone

Downstream raw materials:

(hydroxy-1 methyl-1 benzyl)-2 chromone

(hydroxy-1 benzyl)-2 chromone