1-(2,5-Dimethoxyphenyl)-3-(4-(dimethylamino)phenyl)-1-methyl-2-propen-1-one

Base Information

• Chemical Name: 1-(2,5-Dimethoxyphenyl)-3-(4-(dimethylamino)phenyl)-1-methyl-2-propen-1-one
• CAS No.: 124711-23-5
• Molecular Formula: C20H23 N O3
• Molecular Weight: 325.4015
• Nikkaji Number: J717.377F
• ChEMBL ID: CHEMBL9652
• Mol file: 124711-23-5.mol

Synonyms:1-(2,5-dimethoxyphenyl)-3-(4-(dimethylamino)phenyl)-1-methyl-2-propen-1-one;MDL 27048;MDL-27048

Chemical Property of 1-(2,5-Dimethoxyphenyl)-3-(4-(dimethylamino)phenyl)-1-methyl-2-propen-1-one

Chemical Property:

• Vapor Pressure: 5.24E-10mmHg at 25°C
• Boiling Point: 496.8°Cat760mmHg
• Flash Point: 254.2°C
• Density: 1.113g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 325.16779360
• Heavy Atom Count: 24
• Complexity: 438

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=C(C=C1)N(C)C)C(=O)C2=C(C=CC(=C2)OC)OC
• Isomeric SMILES: C/C(=C\C1=CC=C(C=C1)N(C)C)/C(=O)C2=C(C=CC(=C2)OC)OC

Technology Process of 1-(2,5-Dimethoxyphenyl)-3-(4-(dimethylamino)phenyl)-1-methyl-2-propen-1-one

There total 5 articles about 1-(2,5-Dimethoxyphenyl)-3-(4-(dimethylamino)phenyl)-1-methyl-2-propen-1-one 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: 70.0%

2',5'-dimethoxypropiophenone (5803-30-5) + 4-dimethylamino-benzaldehyde (100-10-7) → (E)-1-(2,5-dimethoxyphenyl)-3-(4-N,N-dimethylaminophenyl)-2-methylprop-2-en-1-one (124711-23-5)

Guidance literature:

With piperidine; acetic acid; In ethanol; for 18h; Heating;

DOI:10.1021/jm00169a021

Reference yield:

piperidine (110-89-4) + 2',5'-dimethoxypropiophenone (5803-30-5) + 4-dimethylamino-benzaldehyde (100-10-7) → (E)-1-(2,5-dimethoxyphenyl)-3-(4-N,N-dimethylaminophenyl)-2-methylprop-2-en-1-one (124711-23-5)

Guidance literature:

With acetic acid; In ethanol;

Reference yield:

2,5-dimethoxybenzaldehyde (93-02-7) → (E)-1-(2,5-dimethoxyphenyl)-3-(4-N,N-dimethylaminophenyl)-2-methylprop-2-en-1-one (124711-23-5)

Guidance literature:

Multi-step reaction with 3 steps

1: tetrahydrofuran / 1 h / Heating

2: PDC / CH₂Cl₂ / 48 h / Ambient temperature

3: 20 percent / piperidine, glacial acetic acid / ethanol / 48 h / Heating

With piperidine; dipyridinium dichromate; acetic acid; In tetrahydrofuran; ethanol; dichloromethane;

DOI:10.1016/S0960-894X(98)00162-0

upstream raw materials:

2',5'-dimethoxypropiophenone

4-dimethylamino-benzaldehyde

2,5-dimethoxybenzaldehyde

1-(2,5-dimethoxyphenyl)propan-1-ol