104856-46-4

Basic information

• Product Name: benzyl 2,3,4,5,6-pentafluorobenzoate
• Synonyms: benzyl 2,3,4,5,6-pentafluorobenzoate
• CAS NO: 104856-46-4
• Molecular Weight: 302.2
• Mol File: 104856-46-4.mol
• Article Data: 6

Chemical Properties

• CAS DataBase Reference: benzyl 2,3,4,5,6-pentafluorobenzoate(CAS DataBase Reference)
• NIST Chemistry Reference: benzyl 2,3,4,5,6-pentafluorobenzoate(104856-46-4)
• EPA Substance Registry System: benzyl 2,3,4,5,6-pentafluorobenzoate(104856-46-4)

Safety Data

• Hazardous Substances Data: 104856-46-4(Hazardous Substances Data)

Upstream product

• 602-94-8 Pentafluorobenzoic acid 
• 100-39-0 benzyl bromide 
• 100-51-6 benzyl alcohol 
• 108-88-3 toluene 
• 2251-50-5 pentafluorobenzoylchloride 

Downstream Products

• 197903-55-2 Benzyl 2,4-bis(benzyloxy)-3,5,6-trifluorobenzoate 
• 197903-58-5 2,3,5-Trifluoro-4,6-dihydroxybenzoic acid 
• 197903-60-9 Pentafluorophenyl 2,3,5-trifluoro-4,6-dihydroxybenzoate 

Relevant articles and documents

Nickel-Catalyzed Benzylic Substitution of Benzyl Esters with Malonates as a Soft Carbon Nucleophile

The nickel-catalyzed benzylic substitution of benzyl alcohol derivatives with a soft carbon nucleophile is extremely rare compared to that with a hard carbon nucleophile. We have achieved the nickel-catalyzed benzylic substitution of benzyl esters with malonates as a soft carbon nucleophile. Primary and secondary benzyl 2,3,4,5,6-pentafluorobenzoates as well as a wide variety of malonate derivatives were well tolerated in the nickel-catalyzed reaction, providing the corresponding alkylation products in 46-86% yields (34 examples). Additionally, we propose a possible reaction mechanism that would undergo via the ??1- A nd ??3-benzylnickel intermediates.

Esterification of the Primary Benzylic C-H Bonds with Carboxylic Acids Catalyzed by Ionic Iron(III) Complexes Containing an Imidazolinium Cation

The first iron-catalyzed esterification of the primary benzylic C-H bonds with carboxylic acids using di-tert-butyl peroxide as an oxidant is achieved by novel ionic iron(III) complexes containing an imidazolinium cation. The use of well-defined, air-stable, and available iron(III) complex in a 5 mol % loading and readily available starting materials with a broad generality and outstanding sterically hindered tolerance renders this methodology a useful alternative to other protocols that are typically employed for the synthesis of benzyl esters.

Fluorous biphasic esterification directed towards ultimate atom efficiency

Aperfectly selective esterification that discriminates between primary and sterically hindered or aromatic carboxylic acids occurs in the presence of the fluoroalkyldistannoxane [{Cl(C6F13CH2 CH2)2SnOSn(CH2CH2 -C6F13)2Cl}2] (1). The reaction gives 100% yield with a strict 1:1 ratio of the carboxylic acid and alcohol reactants, and the catalyst can be recycled without any loss of activity.