Benzoic acid, 4-methoxy-, 2-acetylphenyl ester

Base Information

• Chemical Name: Benzoic acid, 4-methoxy-, 2-acetylphenyl ester
• CAS No.: 5445-86-3
• Molecular Formula: C16H14 O4
• Molecular Weight: 270.285
• Hs Code.: 2918990090
• European Community (EC) Number: 226-655-4
• NSC Number: 22359
• UNII: N1WO3Y4M54
• DSSTox Substance ID: DTXSID7063893
• Nikkaji Number: J210.488A
• Wikidata: Q81991074
• Mol file: 5445-86-3.mol

Synonyms:2-acetylphenyl 4-methoxybenzoate;5445-86-3;2-Acetylphenyl p-anisate;Benzoic acid, 4-methoxy-, 2-acetylphenyl ester;2-Acetyl-1-phenyl 4-methoxybenzoate;N1WO3Y4M54;EINECS 226-655-4;NSC 22359;NSC-22359;NSC22359;UNII-N1WO3Y4M54;SCHEMBL311792;DTXSID7063893;2-ethanoylphenyl 4-methoxybenzoate;AKOS003432108;4-Methoxybenzoic acid 2-acetylphenyl ester;P-ANISIC ACID, ESTER WITH 2'-HYDROXYACETOPHENONE

Chemical Property of Benzoic acid, 4-methoxy-, 2-acetylphenyl ester

Chemical Property:

• Vapor Pressure: 1.32E-08mmHg at 25°C
• Boiling Point: 458.9°Cat760mmHg
• Flash Point: 205.4°C
• PSA: 52.60000
• Density: 1.183g/cm³
• LogP: 3.11700
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 270.08920892
• Heavy Atom Count: 20
• Complexity: 344

Purity/Quality:

2-ACETYLPHENYL 4-METHOXYBENZOATE Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1OC(=O)C2=CC=C(C=C2)OC

Technology Process of Benzoic acid, 4-methoxy-, 2-acetylphenyl ester

There total 10 articles about Benzoic acid, 4-methoxy-, 2-acetylphenyl ester 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%

o-hydroxyacetophenone (118-93-4,104809-67-8) + 4-methoxy-benzoyl chloride (100-07-2) → 2'-(4-methoxybenzoyloxy)acetophenone (5445-86-3)

Guidance literature:

With pyridine; at 20 ℃; for 2h;

DOI:10.1021/jo990735q

Reference yield: 82.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + 4-methoxy-benzaldehyde (123-11-5) → 2'-(4-methoxybenzoyloxy)acetophenone (5445-86-3)

Guidance literature:

With tert.-butylhydroperoxide; In water; dimethyl sulfoxide; at 80 ℃; for 10h; Inert atmosphere;

DOI:10.1016/j.tetlet.2013.05.113

Reference yield: 81.0%

4-Methoxystyrene (637-69-4,24936-44-5) + o-hydroxyacetophenone (118-93-4,104809-67-8) → 2'-(4-methoxybenzoyloxy)acetophenone (5445-86-3)

Guidance literature:

With tert.-butylhydroperoxide; copper diacetate; In acetonitrile; at 80 ℃; for 15h; Solvent; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.tet.2021.132000

upstream raw materials:

o-hydroxyacetophenone

4-methoxy-benzoyl chloride

4-methoxybenzoic acid

Phenyl acetate

Downstream raw materials:

1-(2-hydroxy-phenyl)-3-(4-methoxy-phenyl)-propane-1,3-dione

methyl 4-methoxybenzoate

o-hydroxyacetophenone

4-Methoxy-benzoic acid 2-(2-iodo-acetyl)-phenyl ester