3-Hydroxy-3',4',5'-trimethoxyflavone

Base Information

• Chemical Name: 3-Hydroxy-3',4',5'-trimethoxyflavone
• CAS No.: 67858-30-4
• Molecular Formula: C18H16O5
• Molecular Weight: 312.322
• Hs Code.: 2914509090
• NSC Number: 328186
• Nikkaji Number: J2.661.790A
• Wikidata: Q63409789
• Metabolomics Workbench ID: 74620
• ChEMBL ID: CHEMBL1999102
• Mol file: 67858-30-4.mol

Synonyms:3',4',5'-trimethoxyflavonol

Chemical Property of 3-Hydroxy-3',4',5'-trimethoxyflavone

Chemical Property:

• Vapor Pressure: 1.39E-08mmHg at 25°C
• Boiling Point: 458.3°Cat760mmHg
• Flash Point: 203°C
• PSA: 78.13000
• Density: 1.242g/cm³
• LogP: 3.19140
• Storage Temp.: 2-8°C
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 328.09468823
• Heavy Atom Count: 24
• Complexity: 488

Purity/Quality:

97% ^*data from raw suppliers

2-(3,4,5-Trimethoxyphenyl)-4H-chromen-4-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=CC=CC=C3O2)O

Technology Process of 3-Hydroxy-3',4',5'-trimethoxyflavone

There total 44 articles about 3-Hydroxy-3',4',5'-trimethoxyflavone 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: 96.0%

2-[3-(3,4,5-trimethoxyphenyl)propynoyl]phenol (1322774-69-5) → 2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one (67858-30-4)

Guidance literature:

With trifluorormethanesulfonic acid; In 1,2-dichloro-ethane; at 0 - 40 ℃; for 1h; regioselective reaction; Inert atmosphere;

DOI:10.1021/ol2016934

Reference yield: 93.0%

1-(2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)-2-propen-1-one → 2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one (67858-30-4)

Guidance literature:

With Iodine monochloride; dimethyl sulfoxide; at 50 ℃; for 0.5h; Sonication; Green chemistry;

DOI:10.1016/j.ultsonch.2016.02.018

Reference yield: 89.0%

1-(2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione (67858-32-6) → 2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one (67858-30-4)

Guidance literature:

With water; at 110 - 115 ℃; for 2.5h;

DOI:10.1515/HC.2010.16.2-3.151

upstream raw materials:

1-(2-hydroxyphenyl)-3-(3,4,5-trimethoxyphenyl)propane-1,3-dione

2-(3′,4′,5′-trihydroxyphenyl)chromen-4-one (3′,4′,5′-trihydroxyflavone)

dimethyl sulfate

methanol

Downstream raw materials:

2-(3′,4′,5′-trihydroxyphenyl)chromen-4-one (3′,4′,5′-trihydroxyflavone)

3-Nitro-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one

3-(2-(biphenyl-4-yl)-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one

3-(2-(4-chlorophenyl)-2-oxoethyl)-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one