4,6-Dibenzoylresorcinol

Base Information

• Chemical Name: 4,6-Dibenzoylresorcinol
• CAS No.: 3088-15-1
• Molecular Formula: C20H14O4
• Molecular Weight: 318.329
• Hs Code.: 2914400090
• European Community (EC) Number: 638-994-9
• UNII: EZ144MXH9V
• DSSTox Substance ID: DTXSID0062842
• Nikkaji Number: J644.985I
• Wikidata: Q27277441
• Mol file: 3088-15-1.mol

Synonyms:4,6-DIBENZOYLRESORCINOL;3088-15-1;(4,6-Dihydroxy-1,3-phenylene)bis(phenylmethanone);(5-benzoyl-2,4-dihydroxyphenyl)-phenylmethanone;UNII-EZ144MXH9V;EZ144MXH9V;Methanone, (4,6-dihydroxy-1,3-phenylene)bis(phenyl-;Methanone, 1,1'-(4,6-dihydroxy-1,3-phenylene)bis[1-phenyl-;Methanone, (4,6-dihydroxy-1,3-phenylene)bis[phenyl-;Methanone, 1,1'-(4,6-dihydroxy-1,3-phenylene)bis(1-phenyl-;dibenzoyl-resorcinol;SCHEMBL295850;DTXSID0062842;4,6-dibenzoylbenzene-1,3-diol;RESORCINOL, 4,6-DIBENZOYL-;MFCD00046065;AS-70595;5-BENZOYL-2,4-DIHYDROXYBENZOPHENONE;1,3-DIBENZOYL-4,6-DIHYDROXYBENZENE;CS-0333179;FT-0634656;Q27277441

Chemical Property of 4,6-Dibenzoylresorcinol

Chemical Property:

• Vapor Pressure: 1.09E-12mmHg at 25°C
• Melting Point: 150℃
• Refractive Index: 1.66
• Boiling Point: 549.6 °C at 760 mmHg
• PKA: 5.62±0.48(Predicted)
• Flash Point: 300.2 °C
• PSA: 74.60000
• Density: 1.312 g/cm³
• LogP: 3.55980
• XLogP3: 5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 318.08920892
• Heavy Atom Count: 24
• Complexity: 409

Purity/Quality:

98%Min ^*data from raw suppliers

4,6-Dibenzoylresorcinol 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2O)O)C(=O)C3=CC=CC=C3

Technology Process of 4,6-Dibenzoylresorcinol

There total 7 articles about 4,6-Dibenzoylresorcinol 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: 57.0%

benzoyl chloride (98-88-4) + 1,3-Dimethoxybenzene (151-10-0) → 4,6-dibenzoylresorcinol (3088-15-1)

Guidance literature:

With aluminium trichloride; In dichloromethane; for 72h; Ambient temperature;

DOI:10.1021/jo00110a038

Reference yield: 15.0%

resorcinol dibenzoate (94-01-9) → 2-benzoyl-5-benzoyloxy phenol (18803-25-3) + 2,4-dibenzoyl resorcinol (82-64-4) + 4,6-dibenzoylresorcinol (3088-15-1)

Guidance literature:

In benzene; for 8h; Irradiation;

DOI:10.1007/BF00799968

Reference yield:

1,5-dibenzoyl-2,4-bis-benzoyloxy-benzene (103282-18-4) → 4,6-dibenzoylresorcinol (3088-15-1)

Guidance literature:

With potassium hydroxide;

DOI:10.1007/BF01518492

upstream raw materials:

1,5-dibenzoyl-2,4-bis-benzoyloxy-benzene

resorcinol dibenzoate

benzoyl chloride

1,3-Dimethoxybenzene

Downstream raw materials:

[5-benzoyl-2,4-bis-(8-bromo-octyloxy)-phenyl]-phenyl-methanone

[5-benzoyl-2,4-bis-(12-bromo-dodecyloxy)-phenyl]-phenyl-methanone

diacetoxymethane

2-(acetoxymethyl)-4,6-dibenzoylresorcinol

Refernces

• 1、 Park, Kwanghee Koh,Jeong, Jinsuk. "Facile synthesis of regio-isomeric naphthofurans and benzodifurans". . p. 545 - 553. Retrieved 2007/10/03.
• 2、 Abdul-Aziz,Auping,Meador. "Synthesis of substituted 2,3,5,6-tetraarylbenzo[1,2-b:5,4-b']difurans". . p. 1303 - 1308. Retrieved 2007/10/02.