5,7-Dihydroxy-4-phenyl-2-chromanone

Base Information

• Chemical Name: 5,7-Dihydroxy-4-phenyl-2-chromanone
• CAS No.: 108013-15-6
• Molecular Formula: C15H12O4
• Molecular Weight: 256.25300
• DSSTox Substance ID: DTXSID40396459
• Nikkaji Number: J1.038.204A
• ChEMBL ID: CHEMBL1337863
• Mol file: 108013-15-6.mol

Synonyms:108013-15-6;5,7-dihydroxy-4-phenyl-2-chromanone;5,7-dihydroxy-4-phenyl-3,4-dihydrochromen-2-one;2H-1-Benzopyran-2-one, 3,4-dihydro-5,7-dihydroxy-4-phenyl-;5,7-dihydroxy-4-phenyl-3,4-dihydro-2H-1-benzopyran-2-one;MLS000594329;Bionet2_000061;Oprea1_251245;CHEMBL1337863;DTXSID40396459;HMS1364C17;HMS2326G22;MFCD00138911;4-Phenyl-5,7-dihydroxychroman-2-one;AKOS005091600;SMR000126509;4D-002

Chemical Property of 5,7-Dihydroxy-4-phenyl-2-chromanone

Chemical Property:

• PSA: 66.76000
• LogP: 2.53880
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 256.07355886
• Heavy Atom Count: 19
• Complexity: 337

Purity/Quality:

97% ^*data from raw suppliers

5,7-DIHYDROXY-4-PHENYL-2-CHROMANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C2=C(C=C(C=C2OC1=O)O)O)C3=CC=CC=C3

Technology Process of 5,7-Dihydroxy-4-phenyl-2-chromanone

There total 13 articles about 5,7-Dihydroxy-4-phenyl-2-chromanone 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: 79.0%

3,5-dihydroxyphenol (108-73-6) + N-cinnamoyl oxazolidin-2-one (109853-54-5) → 3,4-Dihydro-5,7-dihydroxy-4-phenylcoumarin (108013-15-6)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 3h;

DOI:10.1021/acs.joc.8b02127

Reference yield: 75.0%

3,5-dihydroxyphenol (108-73-6) + N-formamido-3-phenyl-2-propenamide (5962-06-1) → 3,4-Dihydro-5,7-dihydroxy-4-phenylcoumarin (108013-15-6)

Guidance literature:

With PPA; at 130 ℃; for 5h;

Reference yield: 60.0%

3,5-dihydroxyphenol (108-73-6) + methyl cinnamate (103-26-4,1754-62-7) → 3,4-Dihydro-5,7-dihydroxy-4-phenylcoumarin (108013-15-6)

Guidance literature:

With iron(III) chloride; In chloroform; at 20 ℃; for 2h;

upstream raw materials:

cinnamonitrile

3,5-dihydroxyphenol

(E)-3-phenylacrylic acid

N-formamido-3-phenyl-2-propenamide