2-Benzoyl-3-hydroxy-4-methylcyclopenta-2,4-dien-1-one

Base Information

Chemical Name:2-Benzoyl-3-hydroxy-4-methylcyclopenta-2,4-dien-1-one
CAS No.:923025-79-0
Molecular Formula:C13H10O3
Molecular Weight:214.221
Hs Code.:
ChEMBL ID:CHEMBL413582
DSSTox Substance ID:DTXSID50582705
Wikidata:Q82474206

Synonyms:2-Benzoyl-3-hydroxy-4-methylcyclopenta-2,4-dien-1-one;923025-79-0;CHEMBL413582;DTXSID50582705;(2E)-2-[hydroxy(phenyl)methylene]-4-methyl-cyclopent-4-ene-1,3-dione

Suppliers and Price of 2-Benzoyl-3-hydroxy-4-methylcyclopenta-2,4-dien-1-one

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 2-Benzoyl-3-hydroxy-4-methylcyclopenta-2,4-dien-1-one

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:214.062994177
Heavy Atom Count:16
Complexity:395

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)C(=C1O)C(=O)C2=CC=CC=C2

Technology Process of 2-Benzoyl-3-hydroxy-4-methylcyclopenta-2,4-dien-1-one

There total 4 articles about 2-Benzoyl-3-hydroxy-4-methylcyclopenta-2,4-dien-1-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: 52.0%

: 923025-72-3
(5E)-3-methyl-5-(2-oxo-2-phenylethylidene)furan-2(5H)-one

: 923025-79-0
2-[hydroxy(phenyl)methylene]-4-methylcyclopent-4-ene-1,3-dione

Guidance literature:: With sodium methylate; In methanol; at 20 ℃;
DOI:10.1021/jm061123i

Reference yield:

: 6048-29-9
triphenylphenacylphosphonium bromide

: 923025-79-0
2-[hydroxy(phenyl)methylene]-4-methylcyclopent-4-ene-1,3-dione

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / aq. NaOH / methanol / 20 °C

2: 56 percent / benzene / Heating

3: 52 percent / NaOMe / methanol / 20 °C

With sodium hydroxide; sodium methylate; In methanol; benzene; 2: Wittig condensation;
DOI:10.1021/jm061123i

Reference yield:

: 70-11-1
α-bromoacetophenone

: 923025-79-0
2-[hydroxy(phenyl)methylene]-4-methylcyclopent-4-ene-1,3-dione

Guidance literature:: Multi-step reaction with 4 steps

1: 62 percent / tetrahydrofuran / Heating

2: 90 percent / aq. NaOH / methanol / 20 °C

3: 56 percent / benzene / Heating

4: 52 percent / NaOMe / methanol / 20 °C

With sodium hydroxide; sodium methylate; In tetrahydrofuran; methanol; benzene; 3: Wittig condensation;
DOI:10.1021/jm061123i