2-Acetylphenyl 2-methoxybenzoate

Base Information

• Chemical Name: 2-Acetylphenyl 2-methoxybenzoate
• CAS No.: 40316-66-3
• Molecular Formula: C16H14O4
• Molecular Weight: 270.285
• DSSTox Substance ID: DTXSID70497327
• Wikidata: Q82346759
• Mol file: 40316-66-3.mol

Synonyms:2-acetylphenyl 2-methoxybenzoate;40316-66-3;2-acetylphenyl2-methoxybenzoate;SCHEMBL20323265;DTXSID70497327;AKOS003495975

Chemical Property of 2-Acetylphenyl 2-methoxybenzoate

Chemical Property:

• PSA: 52.60000
• LogP: 3.11700
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 270.08920892
• Heavy Atom Count: 20
• Complexity: 352

Purity/Quality:

2-Acetylphenyl2-methoxybenzoate 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(=O)C1=CC=CC=C1OC(=O)C2=CC=CC=C2OC

Technology Process of 2-Acetylphenyl 2-methoxybenzoate

There total 5 articles about 2-Acetylphenyl 2-methoxybenzoate 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: 90.0%

o-hydroxyacetophenone (118-93-4,104809-67-8) + 2-Methoxybenzoyl chloride (21615-34-9) → 2-(2-methoxybenzoyloxy)acetophenone (40316-66-3)

Guidance literature:

With sodium hydride; at 0 ℃; Reflux;

Reference yield:

2-methoxybenzoic acid methyl ester (606-45-1) → 2-(2-methoxybenzoyloxy)acetophenone (40316-66-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sodium hydroxide / ethanol; water / Reflux

2: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 20 °C

3: triethylamine / dichloromethane / 20 °C

With thionyl chloride; triethylamine; N,N-dimethyl-formamide; sodium hydroxide; In ethanol; dichloromethane; water;

DOI:10.1002/adsc.201900652

Reference yield:

2-Methoxybenzoic acid (579-75-9) → 2-(2-methoxybenzoyloxy)acetophenone (40316-66-3)

Guidance literature:

Multi-step reaction with 2 steps

1: thionyl chloride; N,N-dimethyl-formamide / dichloromethane / 20 °C

2: triethylamine / dichloromethane / 20 °C

With thionyl chloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1002/adsc.201900652

upstream raw materials:

o-hydroxyacetophenone

2-Methoxybenzoyl chloride

methyl salicylate

2-methoxybenzoic acid methyl ester

Downstream raw materials:

1-methyl-5-(2'-hydroxyphenyl)-3-(2''-methoxyphenyl)pyrazole

2'-hydroxyflavone

2'-methoxyflavone