Methyl alpha-benzoylbenzenebutanoate

Base Information

• Chemical Name: Methyl alpha-benzoylbenzenebutanoate
• CAS No.: 204767-34-0
• Molecular Formula: C₁₈H₁₈O₃
• Molecular Weight: 282.339
• DSSTox Substance ID: DTXSID601302972
• Mol file: 204767-34-0.mol

Synonyms:DTXSID601302972;204767-34-0

Chemical Property of Methyl alpha-benzoylbenzenebutanoate

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 282.125594432
• Heavy Atom Count: 21
• Complexity: 338

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC(=O)C(CCC1=CC=CC=C1)C(=O)C2=CC=CC=C2

Technology Process of Methyl alpha-benzoylbenzenebutanoate

There total 2 articles about Methyl alpha-benzoylbenzenebutanoate 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:

→ 2-benzoyl-4-phenyl-butyric acid methyl ester (204767-34-0)

Guidance literature:

With chromic acid; acetic acid;

Reference yield:

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + methyl 3-(benzyl)propanoate (2046-17-5) → 2-benzoyl-4-phenyl-butyric acid methyl ester (204767-34-0)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) DME, 0 deg C, 10 min, 2.) DME, reflux, 8 h;

DOI:10.1002/hlca.19980810212

Reference yield:

2-benzoyl-4-phenyl-butyric acid methyl ester (204767-34-0) → 1,4-diphenylbutan-1-one (5407-91-0)

Guidance literature:

beim Verseifen;

upstream raw materials:

benzoic acid methyl ester

methyl 3-(benzyl)propanoate

Downstream raw materials:

1,4-diphenylbutan-1-one

methyl (Z)-4-phenyl-2-butenoate

Refernces