19851-61-7

Basic information

• Product Name: DIBENZYL TEREPHTHALATE
• Synonyms: 1,4-Benzendicarboxylicacidbis(phenylmethyl)ester;TEREPHTHALIC ACID DIBENZYL ESTER;DIBENZYL TEREPHTHALATE;1,4-DIBENZYL TEREPHTHALATE;Benzyl Terephthalate;Einecs 243-370-0;Dibenzyl benzene-1,4-dicarboxylate
• CAS NO: 19851-61-7
• Molecular Formula: C₂₂H₁₈O₄
• Molecular Weight: 346.38
• EINECS: 243-370-0
• Product Categories: Aromatic Esters
• Mol File: 19851-61-7.mol
• Article Data: 22

Chemical Properties

• Melting Point: 95-97°C
• Boiling Point: 441.12°C (rough estimate)
• Flash Point: 252.6 °C
• Appearance: /
• Density: 1.1637 (rough estimate)
• Vapor Pressure: 3.96E-10mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• Storage Temp.: Refrigerator
• Solubility: Chloroform (Slightly), Ethyl Acetate (Slightly)
• CAS DataBase Reference: DIBENZYL TEREPHTHALATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIBENZYL TEREPHTHALATE(19851-61-7)
• EPA Substance Registry System: DIBENZYL TEREPHTHALATE(19851-61-7)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 19851-61-7(Hazardous Substances Data)

Usage

Description

Dibenzyl terephthalate is an organic compound that is commonly utilized in the synthesis of various pharmaceutical compounds and materials. It is characterized by its chemical structure, which consists of a terephthalic acid moiety linked to two benzyl groups.

Uses

Used in Pharmaceutical Synthesis:
Dibenzyl terephthalate is used as an intermediate in the synthesis of Pharacine (P294550), a natural p-cyclophane derived from the bacterial strain Cytophaga sp. AM13.1. Pharacine is a poly(butylene terephthalate) dimer, which has potential applications in the pharmaceutical industry due to its unique chemical properties and structure. The use of Dibenzyl terephthalate in this synthesis process allows for the creation of complex and valuable compounds with potential therapeutic applications.

InChI:InChI=1/C22H18O4/c23-21(25-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(24)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2

Upstream product

• 100-21-0 terephthalic acid 
• 100-39-0 benzyl bromide 
• 100-44-7 benzyl chloride 
• 108-88-3 toluene 
• 623-27-8 terephthalaldehyde, 
• 24318-74-9 benzyl methyl terephthalate 
• 100-51-6 benzyl alcohol 
• 10028-70-3 disodium terephthalate 
• 120-61-6 1,4-benzenedicarboxylic acid dimethyl ester 
• 100-20-9 terephthaloyl chloride 
• 103-83-3 N,N'-dimethylbenzylamine 

Downstream Products

• 126657-59-8 3-nitrophenyl 4-(4-octyloxyphenoxycarbonyl)benzoate 
• 63440-94-8 butylene terephthalate cyclic trimer 
• 24968-12-5 C₄₆H₄₂O₁₂ 
• 1357620-18-8 N-(3-acetamido-5-(hydroxymethyl)phenyl)-N'-(3-(dimethylamino)propyl)-terephthalamide 
• 1357620-17-7 N-(3-acetamido-5-((tert-butyldimethylsilyloxy)methyl)phenyl)-N'-(3-(dimethylamino)propyl) terephthalamide 
• 1357620-14-4 benzyl 4-(3-morpholinopropylcarbamoyl)benzoate 
• 1357620-13-3 benzyl 4-(3-(diethylamino)propylcarbamoyl)benzoate 
• 1357620-12-2 benzyl 4-(3-(dimethylamino)propylcarbamoyl)benzoate 

Relevant articles and documents

Formation of gas-phase dianions and distonic ions as a general method for the synthesis of protected reactive intermediates. Energetics of 2,3- and 2,6-dehydronaphthalene

New methods for the regioselective formation of radical anions are described. Dicarboxylates are generated by electrospray ionization mass spectrometry and lose carbon dioxide and an electron upon collision-induced dissociation to afford distonic ions. These radical anions also can be synthesized via laser desorption, chemical ionization, and electron ionization of dibenzyl esters. Subsequent fragmentation of the remaining CO2 affords new radical anions corresponding to neutral reactive intermediates. By measuring the proton affinities and electron binding energies of these species, quantitative energetic information on carbenes, biradicals, and other transient molecules can be obtained. This approach is demonstrated by measuring the heats of formation of 2,3- and 2,6-dehydronaphthalene, ancillary thermochemical data also are derived, and the results are compared to either o- or p-benzyne.

Reusable ionic liquid-catalyzed oxidative esterification of carboxylic acids with benzylic hydrocarbons via benzylic Csp3-H bond activation under metal-free conditions

A metal-free protocol for the direct oxidative esterification of the Csp3-H bond in benzylic hydrocarbons with carboxylic acids using heterocyclic ionic liquid as catalyst has been reported. The catalyst 1-butylpyridinium iodide could be easily recycled and reused for at least four cycles without obvious loss of catalytic activity.

NOVEL SINGLE STEP ESTERIFICATION PROCESS OF ALDEHYDES USING A HETEROGENEOUS CATALYST

The present invention relates to a novel simple, efficient and single-step process for esterification of aldehydes using a heterogeneous catalyst with high yields. More particularly, the present invention relates to a novel simple, efficient and single-step process for esterification of aldehydes using Titanium superoxide with greater than 80% yields.