5,6,7-Trimethoxyflavone

Base Information

• Chemical Name: 5,6,7-Trimethoxyflavone
• CAS No.: 973-67-1
• Molecular Formula: C18H16 O5
• Molecular Weight: 312.322
• Hs Code.: 2914509090
• European Community (EC) Number: 677-501-1
• DSSTox Substance ID: DTXSID30331879
• Nikkaji Number: J345.874A
• Wikidata: Q27105905
• Metabolomics Workbench ID: 24183
• ChEMBL ID: CHEMBL182992
• Mol file: 973-67-1.mol

Synonyms:5,6,7-trimethoxyflavone

Chemical Property of 5,6,7-Trimethoxyflavone

Chemical Property:

• Vapor Pressure: 4.97E-10mmHg at 25°C
• Melting Point: 165-167°C
• Boiling Point: 497.4°C at 760 mmHg
• Flash Point: 221.3°C
• PSA: 57.90000
• Density: 1.242g/cm³
• LogP: 3.48580
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 312.09977361
• Heavy Atom Count: 23
• Complexity: 454

Purity/Quality:

98%min ^*data from raw suppliers

5,6,7-trimethoxyflavone AldrichCPR ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi,Xn
• Statements: 36/37/38-22
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OC)OC

Technology Process of 5,6,7-Trimethoxyflavone

There total 29 articles about 5,6,7-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: 95.0%

5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one (491-67-8) + methyl iodide (74-88-4) → 5,6,7-trimethoxyflavone (973-67-1)

Guidance literature:

With pyridine; potassium carbonate; potassium iodide; In acetone; at 60 ℃; for 8h; Reflux;

DOI:10.1002/hlca.201100162

Reference yield: 93.0%

6′-hydroxy-2′,3′,4′-trimethoxychalcone (70185-52-3,74064-14-5) → 5,6,7-trimethoxyflavone (973-67-1)

Guidance literature:

With iodine; In dimethyl sulfoxide; at 100 ℃; for 2.5h;

DOI:10.1080/10286020903508416

Reference yield: 90.0%

(2E)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)-3-phenylprop-2-en-1-one (70185-52-3) → 5,6,7-trimethoxyflavone (973-67-1)

Guidance literature:

With iodine; In dimethyl sulfoxide; for 2h; Heating;

DOI:10.1248/cpb.52.1162

upstream raw materials:

diazomethane

5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

dimethyl sulfate

methyl iodide

Downstream raw materials:

5,6,7-trihydroxy-2-phenyl-4H-1-benzopyran-4-one

5,6-dihydroxy-7-methoxyflavone

4-oxo-2-phenyl-4H-1-benzopyran-5,6,7-triyl triacetate

5-acetoxy-6,7-dimethoxyflavone

Refernces

• 1、 Grano, Ruel Valerio Robles De,Nisar, Madiha,Sung, Herman H.-Y.,Vashchenko, Elena V.,Vashchenko, Valerii V.,Williams, Ian D.. "Crystal structures of the flavonoid Oroxylin A and the regioisomers Negletein and Wogonin". . p. 490 - 499. Retrieved 2020/05/18.
• 2、 -. "Baicalein derivative as well as preparation method and application thereof (by machine translation)". Paragraph 0135; 0136; 0214; 0215. . Retrieved 2020/05/05.