3',4'-Dimethoxyflavone

Base Information

• Chemical Name: 3',4'-Dimethoxyflavone
• CAS No.: 4143-62-8
• Molecular Formula: C17H14O4
• Molecular Weight: 282.296
• Hs Code.: 2914509090
• European Community (EC) Number: 662-653-3
• DSSTox Substance ID: DTXSID50350946
• Nikkaji Number: J437.553J
• Wikidata: Q82127014
• Metabolomics Workbench ID: 74523
• ChEMBL ID: CHEMBL91153
• Mol file: 4143-62-8.mol

Synonyms:3',4'-dimethoxyflavone;3',4'-DMF

Chemical Property of 3',4'-Dimethoxyflavone

Chemical Property:

• Melting Point: 154-155 °C
• Boiling Point: 428.5 °C at 760 mmHg
• Flash Point: 190.6 °C
• PSA: 48.67000
• Density: 1.242±0.06 g/cm3(Predicted)
• LogP: 3.47720
• Storage Temp.: room temp
• Solubility.: DMSO: ≥20mg/mL
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 282.08920892
• Heavy Atom Count: 21
• Complexity: 417

Purity/Quality:

98%,99%, ^*data from raw suppliers

3'',4''-Dimethoxyflavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T
• Hazard Codes: T
• Statements: 25
• Safety Statements: 22-24/25-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=CC=CC=C3O2)OC
• Uses: 3′,4′-Dimethoxyflavone has been used in urease inhibition assay.

Technology Process of 3',4'-Dimethoxyflavone

There total 57 articles about 3',4'-Dimethoxyflavone 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%

C17H15BrO4 (1301225-12-6) → 3',4'-dimethoxyflavone (4143-62-8)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 100 ℃; for 1h; under air;

DOI:10.1002/anie.201007302

Reference yield: 95.0%

2'-hydroxy-3,4-dimethoxychalcone (79140-20-8,19152-36-4) → 3',4'-dimethoxyflavone (4143-62-8)

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: 95.0%

3-(3,4-Dimethoxyphenyl)-1-(2-hydroxyphenyl)-propane-1,3-dione (4233-35-6) → 3',4'-dimethoxyflavone (4143-62-8)

Guidance literature:

With iron(III) chloride; In dichloromethane; at 20 ℃; for 1h;

DOI:10.1515/HC.2005.11.1.97

upstream raw materials:

3',4'-dimethoxyflavanone

lead(IV) tetraacetate

acetic acid

(E)-2'-hydroxy-3,4-dimethoxychalcone

Downstream raw materials:

2-amino-5-(3,4-dimethoxyphenyl)-6-(2-hydroxyphenyl)pyrimidine

3',4'-dihydroxyflavone

2-(3,4-dimethoxy-phenyl)-chromene-4-thione

6-chloromethyl-2-(3,4-dimethoxyphenyl)-1-benzopyran-4-one

Refernces

• 1、 Ahmed, Ishtiaq,Ahmed, Safeer,Ahmed, Saleh A.,Alsantali, Reem I.,Alsharif, Meshari A.,Altaf, Ataf Ali,Altass, Hatem M.,Jassas, Rabab. S.,Kausar, Samia,Mughal, Ehsan Ullah,Mumtaz, Amara,Naeem, Nafeesa,Obaid, Rami J.,Sadiq, Amina,Zafar, Muhammad Naveed. "Experimental and theoretical insights into the photophysical and electrochemical properties of flavone-based hydrazones". . . Retrieved 2021/07/06.
• 2、 Son, Seung Hwan,Cho, Yang Yil,Yoo, Hyung-Seok,Lee, Soo Jin,Kim, Young Min,Jang, Hyu Jeong,Kim, Dong Hwan,Shin, Jeong-Won,Kim, Nam-Jung. "Divergent synthesis of flavones and flavanones from 2′-hydroxydihydrochalconesviapalladium(ii)-catalyzed oxidative cyclization". . p. 14000 - 14006. Retrieved 2021/04/22.