Methyl 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanoate

Base Information

• Chemical Name: Methyl 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanoate
• CAS No.: 23073-05-4
• Molecular Formula: C₁₈H₁₈O₄
• Molecular Weight: 298.339
• Hs Code.: 2918990090
• NSC Number: 75266
• DSSTox Substance ID: DTXSID70291408
• Mol file: 23073-05-4.mol

Synonyms:23073-05-4;METHYL 2-(4-METHOXYPHENYL)-4-OXO-4-PHENYL-BUTANOATE;methyl 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanoate;NSC75266;DTXSID70291408;NSC-75266

Chemical Property of Methyl 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanoate

Chemical Property:

• Vapor Pressure: 3.93E-08mmHg at 25°C
• Boiling Point: 445.5°Cat760mmHg
• Flash Point: 196.5°C
• PSA: 52.60000
• Density: 1.149g/cm³
• LogP: 3.22480
• XLogP3: 3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 298.12050905
• Heavy Atom Count: 22
• Complexity: 365

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Methyl 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanoate

There total 5 articles about Methyl 2-(4-methoxyphenyl)-4-oxo-4-phenylbutanoate 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:

3-(4-methoxyphenyl)-2-cyano-5-phenyl-5-oxo-pentano-nitrile (109012-86-4,77609-08-6) → 2-(4-methoxy-phenyl)-4-oxo-4-phenyl-butyric acid methyl ester (23073-05-4)

Guidance literature:

With magnesium bis(monoperoxyphthalate)hexahydrate; lithium carbonate; In methanol; at -20 ℃;

DOI:10.1002/adsc.201600427

Reference yield:

trans-4-methoxychalcone (22252-15-9) → 2-(4-methoxy-phenyl)-4-oxo-4-phenyl-butyric acid methyl ester (23073-05-4)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium carbonate / 1,2-dichloro-ethane / 20 °C

2: lithium carbonate; magnesium bis(monoperoxyphthalate)hexahydrate / methanol / -20 °C

With magnesium bis(monoperoxyphthalate)hexahydrate; lithium carbonate; potassium carbonate; In methanol; 1,2-dichloro-ethane; 1: |Michael Addition;

DOI:10.1002/adsc.201600427

Reference yield:

2-(4-methoxyphenyl)-4-oxo-4-phenylbutanoic acid (3261-90-3) → 2-(4-methoxy-phenyl)-4-oxo-4-phenyl-butyric acid methyl ester (23073-05-4)

Guidance literature:

With methanol; sulfuric acid;

upstream raw materials:

2-(4-methoxyphenyl)-4-oxo-4-phenylbutanoic acid

methanol

2-(4-methoxyphenyl)-4-oxo-4-phenylbutanenitrile

trans-4-methoxychalcone

Downstream raw materials:

4-(4-methoxyphenyl)-6-phenyl-4,5-dihydropyridazin-3(2H)-one