3-benzoyl-7-hydroxy-2H-chromen-2-one

Base Information

• Chemical Name: 3-benzoyl-7-hydroxy-2H-chromen-2-one
• CAS No.: 19088-67-6
• Molecular Formula: C16H10O4
• Molecular Weight: 266.253
• DSSTox Substance ID: DTXSID70419943
• Nikkaji Number: J3.342.474D
• Wikidata: Q82231170
• ChEMBL ID: CHEMBL589351
• Mol file: 19088-67-6.mol

Synonyms:3-benzoyl-7-hydroxy-2H-chromen-2-one;19088-67-6;3-benzoyl-7-hydroxychromen-2-one;MLS000530586;MFCD02059146;SMR000135564;7-hydroxy-3-(phenylcarbonyl)-2H-chromen-2-one;3- Benzoylumbelliferon;Enamine_003383;Oprea1_398055;3-benzoyl-7-hydroxy-coumarin;CHEMBL589351;SCHEMBL2471214;BDBM57152;cid_5413038;DTXSID70419943;HMS1403J17;HMS2396G17;BBL029559;CCG-33424;STL146094;AKOS001053918;3-benzoyl-7-hydroxy-1-benzopyran-2-one;2-Oxo-3-benzoyl-2H-1-benzopyran-7-ol;NS-04196;7-oxidanyl-3-(phenylcarbonyl)chromen-2-one;CS-0269726;EN300-303040;F83432;Z56849319;F0916-3927

Chemical Property of 3-benzoyl-7-hydroxy-2H-chromen-2-one

Chemical Property:

• Melting Point: 241 °C
• Boiling Point: 513.7±50.0 °C(Predicted)
• PKA: 7.37±0.20(Predicted)
• PSA: 67.51000
• Density: 1.397±0.06 g/cm3(Predicted)
• LogP: 2.72960
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 266.05790880
• Heavy Atom Count: 20
• Complexity: 434

Purity/Quality:

98%min ^*data from raw suppliers

3-Benzoyl-7-hydroxy-2H-chromen-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C(C=C3)O)OC2=O

Technology Process of 3-benzoyl-7-hydroxy-2H-chromen-2-one

There total 5 articles about 3-benzoyl-7-hydroxy-2H-chromen-2-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: 86.5%

ethyl 3-oxo-3-phenylpropionate (94-02-0) + 2,4-Dihydroxybenzaldehyde (95-01-2) → 7-hydroxy-3-(phenylcarbonyl)-2H-chromen-2-one (19088-67-6)

Guidance literature:

With piperidine; In acetonitrile; at 20 ℃; for 24h;

DOI:10.3390/molecules18056057

Reference yield: 81.0%

7-hydroxy-2H-chromen-2-one (93-35-6) + phenylglyoxal hydrate (1074-12-0) → 7-hydroxy-3-(phenylcarbonyl)-2H-chromen-2-one (19088-67-6)

Guidance literature:

With tert.-butylhydroperoxide; In water; acetonitrile; at 120 ℃; for 20h; Sealed tube;

DOI:10.1021/acs.joc.1c02159

Reference yield: 80.77%

o-acetoxypropiophenone (97139-82-7) + 2,4-Dihydroxybenzaldehyde (95-01-2) → 7-hydroxy-3-(phenylcarbonyl)-2H-chromen-2-one (19088-67-6)

Guidance literature:

With piperidine; In ethanol; for 6h; Reflux;

upstream raw materials:

piperidine

ethanol

ethyl 3-oxo-3-phenylpropionate

2,4-Dihydroxybenzaldehyde

Downstream raw materials:

C₂₀H₁₆O₆

C₆₀H₄₄O₁₈

C₃₀H₃₆O₆

C₄₂H₃₄O₁₄