3,4-Dimethoxychalcone

Base Information

• Chemical Name: 3,4-Dimethoxychalcone
• CAS No.: 53744-27-7
• Molecular Formula: C17H16 O3
• Molecular Weight: 268.312
• European Community (EC) Number: 879-186-8
• NSC Number: 643172,237973,204995,11868
• Nikkaji Number: J1.378.823E,J400.836G
• Wikidata: Q106902684
• Metabolomics Workbench ID: 73707
• ChEMBL ID: CHEMBL33943
• Mol file: 53744-27-7.mol

Synonyms:3,4-dimethoxychalcone

Chemical Property of 3,4-Dimethoxychalcone

Chemical Property:

• Vapor Pressure: 2.53E-07mmHg at 25°C
• Boiling Point: 421.8°C at 760 mmHg
• Flash Point: 200.7°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: 331

Purity/Quality:

≥99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 3,4-Dimethoxychalcone

There total 9 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: 98.0%

3,4-dimethoxy-benzaldehyde (120-14-9) + acetophenone (98-86-2) → 3,4-dimethoxychalcone (53744-27-7)

Guidance literature:

With sodium hydroxide; In ethanol; water; at 20 ℃;

DOI:10.1016/j.molstruc.2021.130014

Reference yield: 90.0%

→ 3,4-dimethoxychalcone (53744-27-7)

Guidance literature:

Reference yield: 89.8%

→ 3,4-dimethoxychalcone (53744-27-7,5416-71-7)

Guidance literature:

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

upstream raw materials:

3,4-dimethoxy-benzaldehyde

acetophenone

methyl (3,4,5-trimethoxyphenyl) ketone

2,3-dimethyoxybenzaldehyde

Downstream raw materials:

3-(3, 4-dimethoxyphenyl)-1-phenylpropan-1-one

4-(3,4-Dimethoxy-phenyl)-2-phenyl-6-p-tolyl-pyridine

2-(4-Chloro-phenyl)-4-(3,4-dimethoxy-phenyl)-6-phenyl-pyridine

4-(3,4-Dimethoxy-phenyl)-2-(3-nitro-phenyl)-6-phenyl-pyridine