5,7-Dihydroxy-3-(4-methoxyphenyl)-2-methylchromen-4-one

Base Information

• Chemical Name: 5,7-Dihydroxy-3-(4-methoxyphenyl)-2-methylchromen-4-one
• CAS No.: 62845-05-0
• Molecular Formula: C₁₇H₁₄O₅
• Molecular Weight: 298.295
• DSSTox Substance ID: DTXSID20419918
• Wikidata: Q82231141

Synonyms:62845-05-0;5,7-dihydroxy-3-(4-methoxyphenyl)-2-methylchromen-4-one;5,7-dihydroxy-3-(4-methoxyphenyl)-2-methyl-4H-chromen-4-one;4H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-methoxyphenyl)-2-methyl-;Cambridge id 7117134;Oprea1_675921;DTXSID20419918;STK888294;AKOS002163859;SR-01000251772;SR-01000251772-1;F1190-0490

Chemical Property of 5,7-Dihydroxy-3-(4-methoxyphenyl)-2-methylchromen-4-one

Chemical Property:

• PSA: 79.90000
• LogP: 3.18820
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 298.08412354
• Heavy Atom Count: 22
• Complexity: 464

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)OC

Technology Process of 5,7-Dihydroxy-3-(4-methoxyphenyl)-2-methylchromen-4-one

There total 4 articles about 5,7-Dihydroxy-3-(4-methoxyphenyl)-2-methylchromen-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:

3,5-dihydroxyphenol (108-73-6) → 5,7-dihydroxy-3-(4-methoxyphenyl)-2-methylchromen-4-one (62845-05-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnCl₂; HCl / diethyl ether

2: MeSO₂Cl; BF₃-etherate / 100 °C

With hydrogenchloride; boron trifluoride diethyl etherate; methanesulfonyl chloride; zinc(II) chloride; In diethyl ether; 1: Houben-Hoesch reaction;

DOI:10.1023/A:1025422502712

Reference yield:

p-methoxybenzylnitrile (104-47-2) → 5,7-dihydroxy-3-(4-methoxyphenyl)-2-methylchromen-4-one (62845-05-0)

Guidance literature:

Multi-step reaction with 2 steps

1: ZnCl₂; HCl / diethyl ether

2: MeSO₂Cl; BF₃-etherate / 100 °C

With hydrogenchloride; boron trifluoride diethyl etherate; methanesulfonyl chloride; zinc(II) chloride; In diethyl ether; 1: Houben-Hoesch reaction;

DOI:10.1023/A:1025422502712

Reference yield:

2,4,6-trihydroxy-4'-methoxydeoxybenzoin (15485-66-2) + N,N-dimethyl acetamide (127-19-5,116057-81-9) → 5,7-dihydroxy-3-(4-methoxyphenyl)-2-methylchromen-4-one (62845-05-0)

Guidance literature:

With boron trifluoride diethyl etherate; methanesulfonyl chloride; at 100 ℃;

DOI:10.1023/A:1025422502712

upstream raw materials:

2,4,6-trihydroxy-4'-methoxydeoxybenzoin

N,N-dimethyl acetamide

3,5-dihydroxyphenol

p-methoxybenzylnitrile

Downstream raw materials:

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

5-hydroxy-7-methoxy-3-(4-methoxy-phenyl)-2,6-dimethyl-chromen-4-one

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