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CAS Number: 66832-97-1
4-acetyl-1,3-phenylene dibenzoate

Structure

 4-acetyl-1,3-phenylene dibenzoate
Name: 4-acetyl-1,3-phenylene dibenzoate
Synonyms:
General Information
Product Number: 66832971

CAS Registry Number 66832-97-1
Name:
Ethanone, 1-?[2,?4-?bis(benzoyloxy)?phenyl]?-
1-[2,4-Bis(benzoyloxy)phenyl]ethanone
2,4-Bis(benzoyloxy)acetophenone
2',4'-Dibenzoyloxyacetophenone
2',4'-Dibenzoyloxyphenyl methyl ketone
Resacetophenone dibenzoate

 

Chemical Formula: C22H16O5
Exact Mass: 360.10
Molecular Weight: 360.36
m/z: 360.10 (100.0%), 361.10 (24.0%), 362.11 (2.8%), 362.10 (1.0%)

 

InChI:InChI=1S/C22H16O5/c1-15(23)19-13-12-18(26-21(24)16-8-4-2-5-9-16)14-20(19)27-22(25)17-10-6-3-7-11-17/h2-14H,1H3

InChI Key:UDFGUGZHBVIIPB-UHFFFAOYSA-N

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

 

Thermal Properties Value Condition Note
Melting Point 80-91 °C   (4)IC
Melting Point 80-81 °C   (5)CAS
Melting Point 78 °C Solv: ethanol (64-17-5) (2)CAS

Specification

98%
References
  1. (2) Sheikh, Javed; European Journal of Medicinal Chemistry 2011, V46(4), P1390-1399 CAPLUS
  2. (4) Wu, E. S. C.; Journal of Medicinal Chemistry 1989, V32(1), P183-92 CAPLUS
  3. (5) Looker, J. H.; Journal of Organic Chemistry 1957, V22, P1237-9 CAPLUS
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