Kaempferol 3,7,4'-trimethyl ether

Base Information

• Chemical Name: Kaempferol 3,7,4'-trimethyl ether
• CAS No.: 15486-34-7
• Molecular Formula: C18H16 O6
• Molecular Weight: 328.321
• Hs Code.: 2914509090
• European Community (EC) Number: 239-514-7
• NSC Number: 675951
• DSSTox Substance ID: DTXSID30165752
• Nikkaji Number: J94.502A
• Wikidata: Q63395673
• Metabolomics Workbench ID: 25781
• ChEMBL ID: CHEMBL77686
• Mol file: 15486-34-7.mol

Synonyms:15486-34-7;Kaempferol 3,7,4'-trimethyl ether;kaempferol-3,7,4'-trimethyl ether;Kaempferol trimethylether;5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one;Kaempferol 3,7,4'-Trimethylether;Kaempferol-3,7,4'-trimethylether;7-Trimethylkaempferol;5-Hydroxy-3,7,4'-trimethoxyflavone;CHEMBL77686;EINECS 239-514-7;5-Hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4-benzopyrone;5-Hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one;MEGxp0_001028;SCHEMBL4649968;3,7,4'-Tri-O-methylkaemferol;ACon1_000906;DTXSID30165752;Kaempferol 3,4'-trimethyl ether;5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one;HY-N3434;BDBM50464569;LMPK12112698;MFCD00017439;NSC675951;4H-1-Benzopyran-4-one, 5-hydroxy-3,7-dimethoxy-2-(4-methoxyphenyl)-;AKOS025287552;5-Hydroxy-3,7,4/'-trimethoxyflavone;NSC-675951;KAEMPFEROL-3,7,4-TRIMETHYLETHER;NCGC00169243-01;MS-24913;CS-0024223;FT-0637235;Q63395673

Chemical Property of Kaempferol 3,7,4'-trimethyl ether

Chemical Property:

• Vapor Pressure: 1.16E-12mmHg at 25°C
• Melting Point: 157-158°C
• Boiling Point: 549oC at 760 mmHg
• PKA: 6.16±0.40(Predicted)
• Flash Point: 202.2oC
• PSA: 78.13000
• Density: 1.36g/cm3
• LogP: 3.19140
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 328.09468823
• Heavy Atom Count: 24
• Complexity: 494

Purity/Quality:

≥98% ^*data from raw suppliers

Kaempferol3,7,4'-Trimethylether 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Kaempferol 3,7,4'-trimethyl ether

There total 35 articles about Kaempferol 3,7,4'-trimethyl ether 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: 97.0%

3,4',5,7-tetramethoxyflavone (16692-52-7) → 5-hydroxy-3,4',7-trimethoxyflavone (15486-34-7)

Guidance literature:

With boron tribromide; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.1002/jccs.200100033

Reference yield: 71.0%

5,7-dihydroxy-3,3',4',5',6-pentamethoxyflavone (30250-35-2) → 5-hydroxy-3,4',7-trimethoxyflavone (15486-34-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; dimethyl sulfate; In acetone; at 20 ℃; for 1h;

DOI:10.1016/j.bioorg.2018.10.034

Reference yield: 70.0%

kaempferol (520-18-3) + dimethyl sulfate (77-78-1) → 5-hydroxy-3,4',7-trimethoxyflavone (15486-34-7)

Guidance literature:

With 1,8-diazabicyclo[5.4.0]undec-7-ene; In acetone; at 20 ℃; for 1h;

DOI:10.1016/j.cbi.2020.109109

upstream raw materials:

diazomethane

kaempferol

ermanin

dimethyl sulfate

Downstream raw materials:

4',7,-di-O-methylkaempferol

5-hydroxy-3,4',7,8-tetramethoxyflavone

5,8-Dihydroxy-3,4',7-trimethoxyflavone

kaempferol 7,3,4'-trimethyl ether acetate

Refernces

• 1、 Popravko et al.. "-". . . Retrieved 1969.
• 2、 Boutefnouchet, Sabrina,Bouzidi, Chouaha,Cojean, Sandrine,Figadère, Bruno,Grougnet, Rapha?l,Maciuk, Alexandre,Michel, Sylvie,Ortiz, Sergio,Vásquez-Ocmín, Pedro G.. "Correlation study on methoxylation pattern of flavonoids and their heme-targeted antiplasmodial activity". . . Retrieved 2020/09/16.