3'-Benzyloxy-5,7-dihydroxy-3,4'-dimethoxyflavone

Base Information

• Chemical Name: 3'-Benzyloxy-5,7-dihydroxy-3,4'-dimethoxyflavone
• CAS No.: 62507-01-1
• Molecular Formula: C24H20O7
• Molecular Weight: 420.41100
• ChEMBL ID: CHEMBL446664
• DSSTox Substance ID: DTXSID60571766
• Metabolomics Workbench ID: 74449
• Nikkaji Number: J888.793D
• Wikidata: Q82459931

Synonyms:62507-01-1;3'-Benzyloxy-5,7-dihydroxy-3,4'-dimethoxyflavone;5,7-dihydroxy-3-methoxy-2-(4-methoxy-3-phenylmethoxyphenyl)chromen-4-one;2-(3-(Benzyloxy)-4-methoxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one;2-[3-(benzyloxy)-4-methoxyphenyl]-5,7-dihydroxy-3-methoxy-4H-chromen-4-one;CHEMBL446664;SCHEMBL4649099;DTXSID60571766;MFCD00017436;NS00116674;2-[3-(Benzyloxy)-4-methoxyphenyl]-5,7-dihydroxy-3-methoxy-4H-1-benzopyran-4-one

Chemical Property of 3'-Benzyloxy-5,7-dihydroxy-3,4'-dimethoxyflavone

Chemical Property:

• Melting Point: 211-212oC
• Boiling Point: 648.297oC at 760 mmHg
• Flash Point: 226.303oC
• PSA: 98.36000
• Density: 1.423g/cm3
• LogP: 4.46740
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 420.12090297
• Heavy Atom Count: 31
• Complexity: 656

Purity/Quality:

99% ^*data from raw suppliers

3''-Benzyloxy-5,7-dihydroxy-3,4''-dimethoxyflavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC)OCC4=CC=CC=C4

Technology Process of 3'-Benzyloxy-5,7-dihydroxy-3,4'-dimethoxyflavone

There total 3 articles about 3'-Benzyloxy-5,7-dihydroxy-3,4'-dimethoxyflavone 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: 33.0%

2-methoxy-1-(2,4,6-trihydroxyphenyl)ethanone (55317-02-7) + 3-benzyloxy-4-methoxy-benzoic acid-anhydride (59171-19-6) → 2-(3-benzyloxy-4-methoxy-phenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one (62507-01-1)

Guidance literature:

With potassium 3-(benzyloxy)-4-methoxybenzoate;

DOI:10.1021/jm970842h

Reference yield:

3,5-dihydroxyphenol (108-73-6) → 2-(3-benzyloxy-4-methoxy-phenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one (62507-01-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 79 percent / HCl, ZnCl₂ / diethyl ether

2: 33 percent / potassium 3-(benzyloxy)-4-methoxybenzoate

With hydrogenchloride; potassium 3-(benzyloxy)-4-methoxybenzoate; zinc(II) chloride; In diethyl ether;

DOI:10.1021/jm970842h

Reference yield:

→ 2-(3-benzyloxy-4-methoxy-phenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one (62507-01-1)

Guidance literature:

upstream raw materials:

2-methoxy-1-(2,4,6-trihydroxyphenyl)ethanone

3-benzyloxy-4-methoxy-benzoic acid-anhydride

3,5-dihydroxyphenol

Downstream raw materials:

2-(3-benzyloxy-4-methoxy-phenyl)-3,5,7-trimethoxy-chromen-4-one

2-(3-Benzyloxy-4-methoxy-phenyl)-7-ethoxy-5-hydroxy-3-methoxy-chromen-4-one

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