7,3',4'-Trimethoxyisoflavone

Base Information

• Chemical Name: 7,3',4'-Trimethoxyisoflavone
• CAS No.: 1621-61-0
• Molecular Formula: C18H16 O5
• Molecular Weight: 312.322
• Hs Code.: 2914509090
• DSSTox Substance ID: DTXSID70167311
• Nikkaji Number: J91.444D
• Wikidata: Q83036661
• Metabolomics Workbench ID: 22198
• ChEMBL ID: CHEMBL273891
• Mol file: 1621-61-0.mol

Synonyms:cabreuvin

Chemical Property of 7,3',4'-Trimethoxyisoflavone

Chemical Property:

• Vapor Pressure: 2.81E-09mmHg at 25°C
• Melting Point: 161 °C
• Boiling Point: 477.4°Cat760mmHg
• Flash Point: 212.1°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: 460

Purity/Quality:

99%, ^*data from raw suppliers

7,3',4'-Trimethoxyisoflavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC(=C(C=C3)OC)OC

Technology Process of 7,3',4'-Trimethoxyisoflavone

There total 20 articles about 7,3',4'-Trimethoxyisoflavone 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: 94.0%

7,3',4'-trimethoxyflavanone (10493-09-1) → cabreuvin (1621-61-0)

Guidance literature:

With thallium(III) toluene-p-sulfonate; In acetonitrile; for 2h; Heating;

Reference yield: 90.0%

3',4',7-trihydroxyisoflavone (485-63-2) + diazomethyl-trimethyl-silane (18107-18-1) → cabreuvin (1621-61-0)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; In methanol; hexane; for 16h; Ambient temperature;

DOI:10.1016/S0960-894X(99)00141-9

Reference yield: 85.0%

2-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-ethanone (53084-05-2) + N,N-dimethyl-formamide dimethyl acetal (4637-24-5) → cabreuvin (1621-61-0)

Guidance literature:

In toluene; at 100 ℃; for 3h;

DOI:10.1002/cctc.202101252

upstream raw materials:

2-(3,4-dimethoxyphenyl)-1-(2-hydroxy-4-methoxyphenyl)-ethanone

Methyl formate

cladrin

methyl iodide

Downstream raw materials:

3',4',7-trihydroxyisoflavone

3-(3,4-dihydroxy-phenyl)-7-methoxy-chromen-4-one

4-(2-Hydroxy-4-methoxyphenyl)-5-(3,4-dimethoxyphenyl)-2-(4-aminobenzenesulphonylamino)pyrimidine

7-acetoxy-3-(3,4-diacetoxy-phenyl)-chromen-4-one

Refernces

• 1、 Ohsaki, Ayumi,Takashima, Junko,Chiba, Noriko,Kawamura, Makoto. "Microanalysis of a selective potent anti-Helicobacter pylori compound in a Brazilian medicinal plant, Myroxylon peruiferum and the activity of analogues". . p. 1109 - 1112. Retrieved 1999.
• 2、 Chang, Ya-Ting,Liu, Ling-Jun,Peng, Wen-Sheng,Lin, Lin-Ting,Chan, Yi-Tsu,Tsai, Fu-Yu. "Stille coupling for the synthesis of isoflavones by a reusable palladium catalyst in water". . p. 469 - 475. Retrieved 2021/02/03.
• 3、 -. "Synthesis method of 3 ', 4', 7-trihydroxy isoflavone". . . Retrieved 2020/09/09.