59346-22-4

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.

Explanation

Describes the physical appearance of the compound in its solid state.

Explanation

Describes the arrangement of atoms and functional groups within the compound, highlighting the presence of a benzene ring, hydroxyl groups, and a bromine atom.

Explanation

The presence of a bromine atom in the compound classifies it as a halogenated derivative, which means it contains a halogen (in this case, bromine) as part of its structure.

Explanation

Warns that the compound may pose risks to health or the environment if not handled and stored according to safety guidelines.

Explanation

Emphasizes the need for proper handling and storage procedures to minimize the risk of accidents or exposure to the compound.

Appearance

White crystalline solid

Uses

Raw material or intermediate in the production of pharmaceuticals, agrochemicals, and other organic compounds

Structure

Benzene ring with two hydroxyl groups and a bromine atom attached

Halogenated derivative

Yes, with bromine atom

Hazardous nature

Can be hazardous if not used properly

Handling and storage

Requires care

Upstream product

• 576-22-7 2-Bromo-m-xylene 
• 87-62-7 2,6-dimethylaniline 
• 25006-88-6 2-bromo-1,3-bis(bromomethyl)benzene 
• 151603-30-4 2-bromobenzene-1,3-dicarboxylic acid dichloride 
• 39622-80-5 1,3-dimethyl 2-bromobenzene-1,3-dicarboxylate 

Downstream Products

• 62456-33-1 2-(2-bromo-3-((tetrahydropyran-2-yloxy)methyl)benzyloxy)tetrahydropyran 
• 79839-49-9 2-bromoisophthalaldehyde 
• 1268335-33-6 3-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yl)propanoic acid 
• 1195621-85-2 C₁₀H₁₁BrO₃ 
• 1195621-86-3 2-(2-bromo-3-methoxymethoxymethyl-phenyl)-[1,3]dioxolane 
• 1195621-92-1 (E)-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-O-benzyl oxime 
• 1195621-77-2 2-bromo-3-(1,3-dioxolan-2-yl)benzaldehyde 
• 1268335-81-4 7-{2'-[4''-(aminoethyl)phenylcarbamoyl]ethyl}-1,3-dihydro-1-hydroxy-2,1-benzoxaborole 
• 1268335-80-3 3-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-N-(4-((tert-butoxycarbonyl)aminomethyl)phenyl)propanamide 
• 1268335-79-0 3-(1,3-dihydro-1-hydroxy-2,1-benzoxaborol-7-yl)-N-(4-methoxylphenyl)propanamide 
• 1268335-77-8 N-phenyl-3-(1-hydroxy-1,3-dihydrobenzo[c][1,2]borazole-7-yl)propanamide 

Relevant academic research and scientific papers

A NEW TYPE OF ANTITUMOR COMPOUNDS: DERIVATIVES OF 7-PROPANAMIDE SUBSTITUTED BENZOXABOROLE

The present disclosure relates to derivatives of 7-propanamide substituted benzoxaborole and their preparation and use. The structural general formula of the derivatives is (formula).The derivatives are used for the preparation of a medicament for the pre

DERIVATIVES OF 7-FATTY ACID SUBSTITUTED BENZOXABOROLE AND THEIR PREPARATION AND USE

The present disclosure relates to derivatives of 7-fatty acid substituted benzoxaborole and their preparation and use. The structural general formula of the derivatives is (I). The derivatives are used for the preparation of a medicament for the preventio

Design, synthesis, and structure-activity relationship of 7-propanamide benzoxaboroles as potent anticancer agents

Benzoxaboroles, as a novel class of bioactive molecules with unique physicochemical properties, have been shown to possess excellent antimicrobial activities with tavaborole approved in 2014 as an antifungal drug. Although urgently needed, the investigation of benzoxaboroles as anticancer agents has been lacking so far. In this study, we report the design, synthesis, and anticancer structure-activity relationship of a series of 7-propanamide benzoxaboroles. Compounds 103 and 115 showed potent activity against ovarian cancer cells with IC50 values of 33 and 21 nM, respectively. Apoptosis was induced by these compounds and colony formation was effectively inhibited. Furthermore, they also showed excellent efficacy in ovarian tumor xenograft mouse model.

A Tethered Tolane: Twisting the Excited State

The synthesis of a doubly bridged tolane is reported. The target is obtained in a five-step synthesis, starting from commercially available 2-amino-meta-xylene by a combination of a Sandmeyer reaction, radical bromination, and Stille-type coupling, followed by double ring closing. The doubly tethered tolane is crystalline; the two phenyl rings are highly twisted with respect to each other both in solution and in the solid state. Optical spectroscopy and quantum chemical calculations show that the doubly bridged tolane is twisted not only in the ground state, but also in the excited state, leading to emission from the twisted state in solution and in the solid state. Strong phosphorescence is observed at cryogenic temperatures.

Benzo-borazol-7-position-fatty-acid ramification and preparing method and medicine application thereof

The invention relates to a benzo-borazol-7-position-fatty-acid ramification and a preparing method and application thereof. The general formula of the ramification is defined in the specification, and the ramification is used for preparing medicine for pr

Iron-Catalyzed Hydrosilylation of Aldehydes and Ketones under Solvent-Free Conditions

Exposure of aldehyde or ketone to 1 mol % BIAN-Fe(C7H8) complex in the presence of diphenyl silane affords the corresponding protected alcohol in excellent yields, under mild reaction conditions. Aldehydes and ketones are reduced cleanly in the presence of a broad range of functional groups under solvent-free conditions.

BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS

This invention provides novel compounds of the following formula useful for treating protozoal infections, pharmaceutical compositions containing such compounds, as well as combinations of these compounds with at least one additional therapeutically effective agent.

Convenient and versatile synthesis of formyl-substituted benzoxaboroles

Despite of the medicinal significance of benzoxaboroles, with the newly discovered clinical compound AN2690 as an example, the synthetic method for rapid diversification of this novel scaffold is lacking. To this end, a versatile and scalable synthesis of formyl-substituted benzoxaboroles is described here. A key step is the mono-oxidation of the two hydroxyls in compound 4 by taking advantage of the stable oxaborole ring in non-coordinating solvents, which was devised based on the study of the intramolecular coordination and exchange properties.