2-Acetyl-4-chlorophenyl 4-methylbenzoate

Base Information

• Chemical Name: 2-Acetyl-4-chlorophenyl 4-methylbenzoate
• CAS No.: 88952-03-8
• Molecular Formula: C16H13ClO3
• Molecular Weight: 288.73
• DSSTox Substance ID: DTXSID60354839
• Wikidata: Q82133304

Synonyms:88952-03-8;2-acetyl-4-chlorophenyl 4-methylbenzoate;(2-acetyl-4-chlorophenyl) 4-methylbenzoate;Benzoic acid, 4-methyl-, 2-acetyl-4-chlorophenyl ester;SCHEMBL13727325;DTXSID60354839;MFCD00979873;2-acetyl-4-chlorophenyl4-methylbenzoate;NCGC00335837-01;NS-00103;AB01327683-02;SR-01000394863;SR-01000394863-1

Chemical Property of 2-Acetyl-4-chlorophenyl 4-methylbenzoate

Chemical Property:

• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 288.0553220
• Heavy Atom Count: 20
• Complexity: 361

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=O)OC2=C(C=C(C=C2)Cl)C(=O)C

Technology Process of 2-Acetyl-4-chlorophenyl 4-methylbenzoate

There total 2 articles about 2-Acetyl-4-chlorophenyl 4-methylbenzoate 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: 30.0%

5-chloro-2-hydroxyacetophenone (1450-74-4) + para-xylene (106-42-3) → 2-acetyl-4-chlorophenyl 4-methylbenzoate (88952-03-8)

Guidance literature:

With tert.-butylhydroperoxide; copper(II) acetate dihydrate; In decane; at 120 ℃; for 5.5h; chemoselective reaction;

DOI:10.1021/ol401682a

Reference yield:

5-chloro-2-hydroxyacetophenone (1450-74-4) + 4-methyl-benzoyl chloride (874-60-2) → 2-acetyl-4-chlorophenyl 4-methylbenzoate (88952-03-8)

Guidance literature:

Reference yield: 77.0%

2-acetyl-4-chlorophenyl 4-methylbenzoate (88952-03-8) → 1-(5-Chloro-2-hydroxy-phenyl)-3-p-tolyl-propane-1,3-dione

Guidance literature:

With potassium hydroxide; In pyridine;

upstream raw materials:

5-chloro-2-hydroxyacetophenone

4-methyl-benzoyl chloride

para-xylene

Downstream raw materials:

6-chloro-2-(p-tolyl)-4H-chromen-4-one

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