6950-43-2

Usage

InChI:InChI=1/C7H4BrNO4/c8-4-1-2-6(9(12)13)5(3-4)7(10)11/h1-3H,(H,10,11)

Upstream product

• 585-76-2 m-bromobenzoic acid 
• 7697-37-2 nitric acid 
• 591-17-3 meta-bromotoluene 
• 52414-98-9 5-bromo-2-nitrotoluene 
• 62567-92-4 (5-Bromo-2-nitro-phenyl)-cyano-acetic acid ethyl ester 
• 51686-78-3 2,4-dibromonitrobenzene 

Downstream Products

• 118-92-3 anthranilic acid 
• 5794-88-7 5-Bromo-2-aminobenzoic acid 
• 883554-93-6 methyl 5-bromo-2-nitro-3-methoxybenzoate 
• 69-78-3 5,5'-dithiobis-(2-nitrobenzoic acid) 
• 22908-25-4 5-bromo-2-nitrobenzoyl chloride 
• 1135283-61-2 2-amino-5-(4-(tert-butoxycarbonyl)piperazin-1-yl)benzoic acid 
• 183622-36-8 5-(4-(tert-butoxycarbonyl)piperazin-1-yl)-2-nitrobenzoic acid 

Relevant academic research and scientific papers

Total synthesis method of DTNB (5,5'-Dithiobis-(2-nitrobenzoic acid))

The invention discloses a total synthesis method of DTNB (5,5'-Dithiobis-(2-nitrobenzoic acid)), which comprises the steps of: nitrification: dropwise adding mixed acid into m-bromotoluene to form 2-nitryl-5-bromotoluene, oxidation: adding 2-8wt% of potassium permanganate solution into 2-nitryl-5-bromotoluene to form 2-nitryl-5-bromine-benzoate, and vulcanization: dissolving 2-nitryl-5-bromine-benzoate prepared in the oxidation step in water, regulating a pH (potential of hydrogen) to be greater than 3.5, stirring and heating to 45-55 DEG C, adding a sodium sulfide aqueous solution in batches,holding the temperature for reaction for 2h, regulating the pH to be less than 1 with hydrochloric acid, and collecting a precipitate to form DTNB. The total synthesis method of DTNB is short in synthesis route, strong in production controllability, lower in cost and easy in industrial production, and a total yield in a synthesis process is above 35%.

Chemoselective Probe Containing a Unique Bioorthogonal Cleavage Site for Investigation of Gut Microbiota Metabolism

While metabolites derived from gut microbiota metabolism have been linked to disease development in the human host, the chemical tools required for their detailed analysis and the discovery of biomarkers are limited. A unique and multifunctional chemical probe for mass spectrometric analysis, which contains p-nitrocinnamyloxycarbonyl as a new bioorthogonal cleavage site has been designed and synthesized. Coupled to magnetic beads, this chemical probe allows for straightforward extraction of metabolites from human samples and release under mild conditions. This isolation from the sample matrix results in significantly reduced ion suppression, an increased mass spectrometric sensitivity, and facilitates the detection of metabolites in femtomole quantities. The chemoselective probe was applied to the analysis of human fecal samples, resulting in the discovery of four metabolites previously unreported in this sample type and confirmation of the presence of medically relevant gut microbiota-derived metabolites.

An "ortho effect" in electrophilic aromatic nitrations: Theoretical analysis and experimental validation

Usually, a π-donor substituent acts as an ortho/para directing group in an electrophilic aromatic substitution reaction, and a π-acceptor substituent acts as a meta directing group. Interestingly, when a π-acceptor substituent is meta to a π-donor substituent, certain electrophilic aromatic nitration occurs ortho to the π-acceptor substituent rather than para . The "ortho effect", highlighted in various textbooks, has been tentatively analyzed here based on ab initio calculations. The reliability of the calculations was verified by the corresponding experimental data, including a newly-designed electrophilic aromatic nitration that also gave reasonable product distributions.

Tunable emissive thin films through ICT photodisruption of nitro-substituted triarylamines

UV-assisted photocleavage in the solid state of orange emitting nitro-substituted triarylamines leads to the appearance of blue emission following photodisruption of the ICT state.

Process for the production of nitro derivatives of aromatic compounds

Nitroderivates of aromatic compounds which are difficult to nitrate, can readily be obtained by nitration providing that the aromatic compound is treated with nitric acid or another nitrating agent in the presence of aliphatic or cycloaliphatic hydrocarbons monosubstituted or polysubstituted by halogen, the nitro group or an alkyl sulphonyl group, and the nitro derivative formed subsequently isolated.