94-01-9

Basic information

• Product Name: 1,3-DIBENZOYLOXYBENZENE
• Synonyms: 1,3-BENZENEDIOL DIBENZOATE;1,3-DIBENZOYLOXYBENZENE;1,3-PHENYLENEDIBENZOATE;M-PHENYLENE DIBENZOATE;1,3-Bis(benzoyloxy)benzene;3-(Benzoyloxy)phenyl benzoate;Dibenzoylresorcinol;1,3-Dibenzoyloxybenzene,98%
• CAS NO: 94-01-9
• Molecular Formula: C₂₀H₁₄O₄
• Molecular Weight: 318.32
• EINECS: 202-294-8
• Product Categories: Aromatic Esters
• Mol File: 94-01-9.mol
• Article Data: 8

Chemical Properties

• Melting Point: 115-117 °C
• Boiling Point: 450 °C
• Flash Point: 93°C
• Appearance: white to beige or pale brown crystalline powder
• Density: 1.2086 (rough estimate)
• Vapor Pressure: 2.58E-09mmHg at 25°C
• Refractive Index: 1.5400 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: soluble in Acetone
• BRN: 2059467
• CAS DataBase Reference: 1,3-DIBENZOYLOXYBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1,3-DIBENZOYLOXYBENZENE(94-01-9)
• EPA Substance Registry System: 1,3-DIBENZOYLOXYBENZENE(94-01-9)

Safety Data

• Statements: 36/37/38
• Safety Statements: 24/25
• RTECS: VH0590000
• TSCA: Yes
• Hazardous Substances Data: 94-01-9(Hazardous Substances Data)

Usage

Chemical Properties

WHITE TO BEIGE OR PALE BROWN CRYSTALLINE POWDER

Safety Profile

Slightly toxic by intraperitonealroute. When heated to decomposition it emits acrid smokeand irritating vapors.

InChI:InChI=1/C20H14O4/c21-19(15-8-3-1-4-9-15)23-17-12-7-13-18(14-17)24-20(22)16-10-5-2-6-11-16/h1-14H

Upstream product

• 110-86-1 pyridine 
• 98-88-4 benzoyl chloride 
• 108-46-3 recorcinol 
• 93-97-0 benzoic acid anhydride 
• 65-85-0 benzoic acid 
• 10025-87-3 trichlorophosphate 
• 111-25-1 1-bromo-hexane 
• 136-36-7 benzoate d'hydroxy-3 phenyle 
• 848417-68-5 3,6-dibenzoyloxy-1,2-pyridazine 
• 67-66-3 chloroform 

Downstream Products

• 94-46-2 isoamyl benzoate 
• 108-46-3 recorcinol 
• 110050-45-8 2,4-bis-benzoyloxy-1-nitro-benzene 
• 136-36-7 benzoate d'hydroxy-3 phenyle 
• 18803-25-3 2-benzoyl-5-benzoyloxy phenol 
• 82-64-4 2,4-dibenzoyl resorcinol 
• 3088-15-1 4,6-dibenzoylresorcinol 
• 131-56-6 2.4-dihydroxybenzophenone 
• 82-67-7 2,4,6-tribenzoyl-resorcinol 
• 885481-28-7 benzoic acid 3-(10-acetoxymethyl-anthracen-9-ylmethoxy)-phenyl ester 
• 885481-29-8 acetic acid 10-(3-hydroxy-phenoxymethyl)-anthracen-9-ylmethyl ester 

Relevant articles and documents

Solid-Phase Benzoylation of Phenols and Alcohols in Microwave Reactor: An Ecofriendly Protocol

An efficient solid-phase benzoylation of phenols and alcohols was developed under microwave irradiation. A stoichiometric amount of benzoyl chloride was sufficient to carry out the reaction. This benzoylation features short reaction time, good yields, and easy workup procedures. Furthermore, the scope of the reaction was extended to prepare 3,5-dinitrobenzoyl derivatives of alcohols.

3,6-Dibenzoxyl-1,2-pyridazine: A new versatile benzoyl transferring agent for NH2, -OH and -SH benzoylations

A newly synthesized 3,6-dibenzoxyl-1,2-pyridazine 3 has been investigated for its potential to transfer the benzoyl group to various organic substrates carrying -NH2, -OH and -SH groups. The benzoyl transfer is fairly general in scope, occurs under convenient conditions and provides good to excellent yields of benzoylated products. Moreover, by choosing proper conditions, it is possible to achieve chemoselective benzoylation in bi-functional molecules. For instance, N-benzoylation of aromatic amines can be selectively accomplished over that of aliphatic amines and vice versa by manipulating reaction conditions. Selective N- or O-benzoylation in aminophenols is also possible. Although, not studied in detail, we final that dibenzoate 3 can also be used to effect C-benzoylation of reactive phenols and ketones, as exemplified by the C-benzoylation of resorcinol and acetophenone, respectively. Dibenzoate 3, besides being a crystalline, easy to handle, solid possesses twice the potential as an acyl carrier compared to the other known acyl carriers. These features make 3 as an attractive choice for many applications pertaining to benzoyl transfer reactions.

PhCOCI-Py/basic alumina as a versatile reagent for benzoylation in solvent-free conditions

A solvent-free procedure using PhCOCl-Py/basic alumina under microwave irradiation has been developed for N-, O- and S-benzoylation.