2',6'-Dimethoxychalcone

Base Information

• Chemical Name: 2',6'-Dimethoxychalcone
• CAS No.: 5452-98-2
• Molecular Formula: C₁₇H₁₆O₃
• Molecular Weight: 268.312
• NSC Number: 19032
• Nikkaji Number: J571.647K
• Metabolomics Workbench ID: 73787
• ChEMBL ID: CHEMBL33241
• Mol file: 5452-98-2.mol

Synonyms:2',6'-DIMETHOXYCHALCONE;(E)-1-(2,6-dimethoxyphenyl)-3-phenylprop-2-en-1-one;5452-98-2;NSC19032;CHEMBL33241;SCHEMBL977479;2',6'-Dimethoxy-trans-chalcone;CHEBI:191004;GMODFQAQVHNPNU-VAWYXSNFSA-N;NSC 19032;NSC-19032;2',6'-Dimethoxychalcone, AldrichCPR;AKOS024287211;2-Propen-1-one, 1-(2,6-dimethoxyphenyl)-3-phenyl-

Chemical Property of 2',6'-Dimethoxychalcone

Chemical Property:

• Vapor Pressure: 3.76E-08mmHg at 25°C
• Boiling Point: 446.1°Cat760mmHg
• Flash Point: 215.5°C
• Density: 1.128g/cm³
• 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: 319

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2',6'-Dimethoxychalcone

There total 2 articles about 2',6'-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: 49.0%

2,6-dimethoxyacetophenone (2040-04-2) + benzaldehyde (100-52-7) → 2',6'-dimethoxychalcone (145629-34-1,5452-98-2)

Guidance literature:

With potassium hydroxide; In methanol; water; at 70 ℃;

DOI:10.1021/jm2016073

Reference yield:

→ 2',6'-dimethoxychalcone (145629-34-1,5452-98-2)

Guidance literature:

Benzaldehyd, 2,6-Dimethoxy-acetophenon, wss.-ethanol. KOH, Raumtemp.;

Reference yield:

methanol (67-56-1) + 2',6'-dimethoxychalcone (145629-34-1,5452-98-2) → 1-(2,6-Dimethoxy-phenyl)-3,3-dimethoxy-2-phenyl-propan-1-one

Guidance literature:

With thallium(III) nitrate; at 30 - 40 ℃; Yield given;

upstream raw materials:

2,6-dimethoxyacetophenone

benzaldehyde