882679-10-9

Basic information

• Product Name: 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid
• Synonyms: 3-Carboxy-4-fluorophenylboronic acid, pinacol ester;3-Carboxy-4-fluorobenzeneboronic acid pinacol ester, 96%;2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)
• CAS NO: 882679-10-9
• Molecular Formula: C₁₃H₁₆BFO₄
• Molecular Weight: 266.0731432
• Mol File: 882679-10-9.mol
• Article Data: 6

Chemical Properties

• Appearance: /Solid
• CAS DataBase Reference: 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid(882679-10-9)
• EPA Substance Registry System: 2-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid(882679-10-9)

Safety Data

• Hazardous Substances Data: 882679-10-9(Hazardous Substances Data)

Usage

Description

2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is a complex synthetic organic compound that belongs to the class of organofluorines and benzoic acids and derivatives. It features a boronic acid ester and a halogenated benzene, with its fluorine atom contributing significant reactivity. The chemical's structure also includes a carboxylic acid group (benzoic acid), known for its acidity, and a dioxaborolane, a cyclic boron-containing compound.

Uses

Used in Pharmaceutical Industry:
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is used as a reagent in Suzuki-Miyaura cross-coupling reactions for the synthesis of various pharmaceutical compounds. Its unique structure allows for the formation of carbon-carbon bonds in organic synthesis, facilitating the creation of diverse and complex molecules with potential therapeutic applications.
Used in Chemical Research:
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid is used as a research tool in the development of new synthetic methods and understanding the reactivity of organofluorine compounds. Its unique combination of functional groups provides opportunities for exploring novel reactions and applications in organic chemistry.
Used in Material Science:
2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoic acid can be used as a building block in the synthesis of advanced materials with specific properties, such as high thermal stability, electrical conductivity, or optical characteristics. Its versatility in forming carbon-carbon bonds enables the creation of novel polymers, coatings, or composites with potential applications in various industries.

Upstream product

• 146328-85-0 5-bromo-2-fluoro-benzoic acid 
• 73183-34-3 bis(pinacol)diborane 
• 76-09-5 2,3-dimethyl-2,3-butane diol 
• 872460-12-3 5-(dihydroxyboranyl)-2-fluorobenzoic acid 

Downstream Products

• 2055397-88-9 N-(2-fluoro-5-(pyridazin-4-yl)benzoyl)benzenesulfonohydrazide 

Relevant articles and documents

Discovery of acylsulfonohydrazide-derived inhibitors of the lysine acetyltransferase, kat6a, as potent senescence-inducing anti-cancer agents

A high-throughput screen designed to discover new inhibitors of histone acetyltransferase KAT6A uncovered CTX-0124143 (1), a unique aryl acylsulfonohydrazide with an IC50 of 1.0 μM. Using this acylsulfonohydrazide as a template, we herein disclose the results of our extensive structure-activity relationship investigations, which resulted in the discovery of advanced compounds such as 55 and 80. These two compounds represent significant improvements on our recently reported prototypical lead WM-8014 (3) as they are not only equivalently potent as inhibitors of KAT6A but are less lipophilic and significantly more stable to microsomal degradation. Furthermore, during this process, we discovered a distinct structural subclass that contains key 2-fluorobenzenesulfonyl and phenylpyridine motifs, culminating in the discovery of WM-1119 (4). This compound is a highly potent KAT6A inhibitor (IC50 = 6.3 nM; KD = 0.002 μM), competes with Ac-CoA by binding to the Ac-CoA binding site, and has an oral bioavailability of 56% in rats.

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A new catalytic system has been optimized to promote the conversion of boron species into others. FeCl3 associated with imidazole and water favors boron refunctionalization under mild conditions. Georg Thieme Verlag Stuttgart New York.