4-Acetyl-2-butanoylphenyl benzoate

Base Information

• Chemical Name: 4-Acetyl-2-butanoylphenyl benzoate
• CAS No.: 92757-70-5
• Molecular Formula: C19H18O4
• Molecular Weight: 310.35
• DSSTox Substance ID: DTXSID90536186
• Wikidata: Q82410775
• Mol file: 92757-70-5.mol

Synonyms:4-Acetyl-2-butanoylphenyl benzoate;92757-70-5;DTXSID90536186

Chemical Property of 4-Acetyl-2-butanoylphenyl benzoate

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 310.12050905
• Heavy Atom Count: 23
• Complexity: 437

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-Acetyl-2-butanoylphenyl benzoate

There total 3 articles about 4-Acetyl-2-butanoylphenyl benzoate 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: 88.0%

benzoyl chloride (98-88-4) + 1-(5-Acetyl-2-hydroxy-phenyl)-butan-1-one (92757-66-9) → Benzoic acid 4-acetyl-2-butyryl-phenyl ester (92757-70-5)

Guidance literature:

In pyridine; for 0.25h; Ambient temperature;

Reference yield:

4-Hydroxyacetophenone (99-93-4) → Benzoic acid 4-acetyl-2-butyryl-phenyl ester (92757-70-5)

Guidance literature:

Multi-step reaction with 3 steps

1: 92 percent / NaOH / TBAH / CH₂Cl₂ / 1.5 h / Ambient temperature

2: 1) 60percent AlCl₃ / 3 h / 150 °C

3: 88 percent / pyridine / 0.25 h / Ambient temperature

With sodium hydroxide; aluminium trichloride; tetra(n-butyl)ammonium hydroxide; In pyridine; dichloromethane;

Reference yield:

4-acetylphenyl butyrate (75305-82-7) → Benzoic acid 4-acetyl-2-butyryl-phenyl ester (92757-70-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 1) 60percent AlCl₃ / 3 h / 150 °C

2: 88 percent / pyridine / 0.25 h / Ambient temperature

With aluminium trichloride; In pyridine;

upstream raw materials:

benzoyl chloride

1-(5-Acetyl-2-hydroxy-phenyl)-butan-1-one

4-acetylphenyl butyrate

4-Hydroxyacetophenone

Downstream raw materials:

1-(5-Acetyl-2-hydroxy-phenyl)-butan-1-one

6-Acetyl-3-ethyl-2-phenyl-chromen-4-one

benzoic acid