4-Acetyl-1,3-phenylene dibenzoate

Base Information

• Chemical Name: 4-Acetyl-1,3-phenylene dibenzoate
• CAS No.: 66832-97-1
• Molecular Formula: C22H16O5
• Molecular Weight: 360.366
• DSSTox Substance ID: DTXSID20445232
• Nikkaji Number: J2.283.987J
• Wikidata: Q82263588
• Mol file: 66832-97-1.mol

Synonyms:4-acetyl-1,3-phenylene dibenzoate;66832-97-1;(4-acetyl-3-benzoyloxyphenyl) benzoate;1-(2,4-BIS(BENZOYLOXY)PHENYL)ETHANONE;SCHEMBL23285676;DTXSID20445232;2',4'-Bis(benzoyloxy)acetophenone

Chemical Property of 4-Acetyl-1,3-phenylene dibenzoate

Chemical Property:

• PSA: 69.67000
• LogP: 4.32760
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 360.09977361
• Heavy Atom Count: 27
• Complexity: 531

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: CC(=O)C1=C(C=C(C=C1)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

Technology Process of 4-Acetyl-1,3-phenylene dibenzoate

There total 2 articles about 4-Acetyl-1,3-phenylene dibenzoate 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: 98.5%

2',4'-dihydroxy-4-acetophenone (89-84-9) + benzoyl chloride (98-88-4) → 2,4-dibenzoyloxyacetophenone (66832-97-1)

Guidance literature:

With pyridine; In diethyl ether; at 0 ℃; for 1h;

DOI:10.1021/jm00121a034

Reference yield: 78.0%

2',4'-dihydroxy-4-acetophenone (89-84-9) + benzoic acid (65-85-0,8013-63-6) → 2,4-dibenzoyloxyacetophenone (66832-97-1)

Guidance literature:

With pyridine; trichlorophosphate; at 20 ℃; Cooling;

DOI:10.1016/j.ejmech.2011.01.068

Reference yield: 92.0%

2,4-dibenzoyloxyacetophenone (66832-97-1) + 2-hydroxyethanethiol (60-24-2) → 2',4'-dibenzoyloxyacetophenone ethylene hemithioketal (136257-98-2)

Guidance literature:

With boron trifluoride diethyl etherate; In diethyl ether; chloroform; for 4h; Heating;

DOI:10.1016/S0040-4020(01)80960-1

upstream raw materials:

2',4'-dihydroxy-4-acetophenone

benzoyl chloride

benzoic acid

Downstream raw materials:

<4-(benzoyloxy)-2-hydroxybenzoyl>benzoylmethane

(E)-2',4'-dihydroxychalcone

7-hydroxyflavone

7-hydroxy-2-phenyl-3-benzoylchromone