3,4'-Dimethoxychalcone

Base Information

• Chemical Name: 3,4'-Dimethoxychalcone
• CAS No.: 52182-14-6
• Molecular Formula: C17H16 O3
• Molecular Weight: 268.312
• Hs Code.: 2914509090
• Wikidata: Q76304413
• ChEMBL ID: CHEMBL3613068
• Mol file: 52182-14-6.mol

Synonyms:3,4'-Dimethoxychalcone;52182-14-6;Chalcone, 3,4'-dimethoxy-;BRN 3140713;(E)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one;3-(3-Methoxyphenyl)-1-(4-methoxyphenyl)-2-propen-1-one;2-Propen-1-one, 3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-;3-08-00-02824 (Beilstein Handbook Reference);SCHEMBL1180395;CHEMBL3613068;SCHEMBL11343789;3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one;MFCD00189387;AKOS000991688;SDCCGSBI-0040298.P002;BIM-0040298.P001;LS-123937;SR-01000225125;SR-01000225125-1;2-Propen-1-one,3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-;(2E)-3-(3-Methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one

Chemical Property of 3,4'-Dimethoxychalcone

Chemical Property:

• Vapor Pressure: 8.98E-08mmHg at 25°C
• Boiling Point: 435.1°C at 760 mmHg
• Flash Point: 208.8°C
• PSA: 35.53000
• Density: 1.128g/cm³
• LogP: 3.59990
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 268.109944368
• Heavy Atom Count: 20
• Complexity: 329

Purity/Quality:

99%min ^*data from raw suppliers

3,4'-DIMETHOXYCHALCONE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C(=O)C=CC2=CC(=CC=C2)OC
• Isomeric SMILES: COC1=CC=C(C=C1)C(=O)/C=C/C2=CC(=CC=C2)OC

Technology Process of 3,4'-Dimethoxychalcone

There total 11 articles about 3,4'-Dimethoxychalcone 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%

→ 3,4'-dimethoxychalcone (52182-14-6)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 0 - 20 ℃; for 3h;

Reference yield: 92.0%

4-methoxyphenacylidene dimethylsulphurane (20912-79-2) + N'-(3-methoxybenzylidene)-4-methylbenzenesulfonohydrazide (19350-71-1) → (2E)-3-(3-methoxyphenyl)-1-(4-methoxyphenyl)prop-2-en-1-one (52182-14-6)

Guidance literature:

With eosin y; N,N,N',N'-tetramethylguanidine; In dichloromethane; at 20 ℃; for 12h; Schlenk technique; Inert atmosphere; Irradiation;

DOI:10.1002/chem.202102671

Reference yield: 92.0%

3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one (3654-50-0) + methyl iodide (74-88-4) → 3,4'-dimethoxychalcone (52182-14-6)

Guidance literature:

With potassium carbonate; In acetone; for 9h; Heating;

upstream raw materials:

3-(3-hydroxyphenyl)-1-(4-hydroxyphenyl)-2-propen-1-one

methyl iodide

4-methoxy-benzaldehyde

1-(3-Methoxyphenyl)ethanone

Downstream raw materials:

5-(3-methoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrazole

2,3-dibromo-1-(4-methoxyphenyl)-3-(3-methoxyphenyl)propane-1-one

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pent-4-en-1-ol

3-(3-methoxyphenyl)-1-(4-methoxyphenyl)pent-4-en-1-one

Refernces

• 1、 Sahu, Benupani,Rajapandi,Maji, Avik,Paul, Abhik,Singha, Tanushree,Maity, Tapan Kumar. "Synthesis, characterization, molecular docking and in vitro anticancer activity of 3-(4-methoxyphenyl)-5-substituted phenyl-2-pyrazoline-1-carbothioamide". . p. 1648 - 1658. Retrieved 2021/06/26.
• 2、 Gilmartin, Philip H.,Kozlowski, Marisa C.. "Vanadium-Catalyzed Oxidative Intramolecular Coupling of Tethered Phenols: Formation of Phenol-Dienone Products". supporting information. p. 2914 - 2919. Retrieved 2020/04/10.