4-Acetylphenyl 4-chlorobenzoate

Base Information

• Chemical Name: 4-Acetylphenyl 4-chlorobenzoate
• CAS No.: 29558-82-5
• Molecular Formula: C₁₅H₁₁ClO₃
• Molecular Weight: 274.704
• DSSTox Substance ID: DTXSID901253770

Synonyms:4-Acetylphenyl 4-chlorobenzoate;Benzoic acid, 4-chloro-, 4-acetylphenyl ester;29558-82-5;(4-acetylphenyl) 4-chlorobenzoate;DTXSID901253770;4-Acetylphenyl 4-chlorobenzoate #;STK730683;AKOS001711827;CCG-306155;AB00081270-01;SR-01000418209;SR-01000418209-1;F0777-1131;Benzoic acid, p-chloro-, ester with 4'-hydroxyacetophenone

Chemical Property of 4-Acetylphenyl 4-chlorobenzoate

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 274.0396719
• Heavy Atom Count: 19
• Complexity: 326

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4-Acetylphenyl 4-chlorobenzoate

There total 2 articles about 4-Acetylphenyl 4-chlorobenzoate 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: 75.0%

4-methoxyphenyl picolinate + 4-chlorobenzaldehyde (104-88-1) → 4-(4-chlorobenzoyloxy)acetophenone (29558-82-5)

Guidance literature:

4-methoxyphenyl picolinate; With palladium diacetate; 1,2-bis-(diphenylphosphino)ethane; In toluene; at 115 ℃; for 0.166667h;

4-chlorobenzaldehyde; With tert.-butylhydroperoxide; In toluene; for 48h; Reflux;

DOI:10.1021/jo3012573

Reference yield: 50.0%

4-chloro-benzoyl chloride (122-01-0) + 4-Hydroxyacetophenone (99-93-4) → 4-(4-chlorobenzoyloxy)acetophenone (29558-82-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 90 ℃; for 3h;

Reference yield: 71.7%

4-(4-chlorobenzoyloxy)acetophenone (29558-82-5) → ω-bromo-4-(4-chlorobenzoyloxy)acetophenone (79615-82-0)

Guidance literature:

With pyridinium hydrobromide perbromide; In acetic acid; at 50 ℃; for 1h;

upstream raw materials:

4-chloro-benzoyl chloride

4-Hydroxyacetophenone

4-chlorobenzaldehyde

Downstream raw materials:

ω-bromo-4-(4-chlorobenzoyloxy)acetophenone

2-acetamido-4-<4-(Chlorobenzyloxy)phenyl>thiazole

2-amino-4-<4-(4-chlorobenzyloxy)phenyl>thiazole hydrobromide

4-Chloro-benzoic acid 4-(2-amino-thiazol-4-yl)-phenyl ester; hydrobromide

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