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Usage

Uses

Used in Organic Synthesis:
Ethyl 3-bromo-5-nitrobenzoate is used as an intermediate in organic synthesis for the preparation of various chemical compounds. Its unique structure allows for versatile reactions and transformations, making it a valuable component in the synthesis of complex organic molecules.
Used in Pharmaceutical Research:
In pharmaceutical research, Ethyl 3-bromo-5-nitrobenzoate serves as a key intermediate for the development of new drugs. Its chemical properties enable it to be a building block in the synthesis of pharmaceutically active compounds, contributing to the discovery of novel therapeutic agents.
Used in Pesticide Production:
Ethyl 3-bromo-5-nitrobenzoate is utilized in the production of pesticides, where it plays a crucial role in the formulation of effective agricultural chemicals. Its chemical structure allows it to be incorporated into the design of pesticides that target specific pests, helping to improve crop yields and protect agricultural resources.
Used in Agricultural Chemicals:
Beyond its use in pesticides, Ethyl 3-bromo-5-nitrobenzoate is also employed in the development of other agricultural chemicals. Its versatility in chemical reactions enables it to be a component in a range of products designed to enhance crop growth, protect against diseases, and improve overall agricultural productivity.

InChI:InChI=1/C9H8BrNO4/c1-2-15-9(12)6-3-7(10)5-8(4-6)11(13)14/h3-5H,2H2,1H3

Upstream product

• 6307-83-1 3-bromo-5-nitro-benzoic acid 
• 121-92-6 3-nitrobenzoic acid 
• 64-17-5 ethanol 
• 10394-67-9 ethyl 3-amino-5-nitrobenzoate 
• 106-95-6 allyl bromide 

Downstream Products

• 1314806-77-3 ethyl 3-bromo-5-(methylsulfonamido)benzoate 
• 1445791-47-8 ethyl 3-((4-fluorophenyl)amino)-5-nitrobenzoate 
• 690260-97-0 ethyl 3-bromo-5-(2-oxo-1-pyrrolidinyl)-benzoate 
• 690260-96-9 ethyl 3-bromo-5-[(4-chlorobutanoyl)-amino]-benzoate 
• 945397-15-9 ethyl 3-(morpholin-4-yl)-5-nitrobenzoate 
• 945397-23-9 ethyl 3-amino-5-(morpholin-4-yl)benzoate 
• 1445878-86-3 3-((3-(N-cyclopropylsulfamoyl)-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl)amino)-5-((3-fluorophenyl)amino)benzoic acid 
• 1445878-84-1 ethyl 3-((3-(N-cyclopropylsulfamoyl)-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl)amino)-5-((3-fluorophenyl)amino)benzoate 
• 1445878-79-4 3-((3-(N-cyclopropylsulfamoyl)-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl)amino)-5-(phenylamino)benzoic acid 
• 1445878-77-2 ethyl 3-((3-(N-cyclopropylsulfamoyl)-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl)amino)-5-(phenylamino)benzoate 
• 1445879-32-2 3-((3-(N-cyclopropylsulfamoyl)-7-(2,4-dimethoxypyrimidin-5-yl)quinolin-4-yl)amino)-5-(methyl(3-(trifluoromethyl)phenyl)amino)benzoic acid trifluoroacetic acid salt 

Relevant academic research and scientific papers

COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY

In one aspect, compounds of Formula A, or a pharmaceutically acceptable salt thereof, are featured (Formula A) or a pharmaceutically acceptable salt thereof, wherein the variables shown in Formula A can be as defined anywhere herein.

SULPHONAMIDES AND COMPOSITIONS THEREOF FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY

In one aspect, compounds of Formula AA, or a pharmaceutically acceptable salt thereof, are featured: wherein the variables shown in Formula AA can be as defined anywhere herein. Compounds AA are modulators of NLRP1 and/or NLRP3

Exploring Halogen Bonds in 5-Hydroxytryptamine 2B Receptor-Ligand Interactions

Here, we predicted the potential halogen bonding interaction between compound 2 and the 5-hydroxytryptamine 2B (5-HT2B) receptor and systematically assessed this interaction via structure-activity relationship analysis and molecular dynamics simulations. A physics-based computational protocol was then developed to further explore the opportunity of "designing in" halogen bonding interactions in structure-based ligand design for the 5-HT2B receptor, which not only facilitated the identification of previously uncharacterized halogen bonds in known 5-HT2B ligands but also enabled the rational design of halogen bonding interactions for the optimization of 5-HT2B ligands. As a proof-of-concept, a series of halogen-substituted analogues of doxepin was synthesized and evaluated, which showed improved in vitro and in vivo potency.

COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY

In one aspect, compounds of Formulae (I) and (II), or pharmaceutically acceptable salts thereof, are featured: Formulae (I) and (II), wherein the variables shown in Formulae (I) and (II) can be as defined anywhere herein.

Triazole-linked reduced amide isosteres: An approach for the fragment-based drug discovery of anti-Alzheimer's BACE1 inhibitors

In the course of a β-site APP-cleaving enzyme 1 (BACE1) inhibitor discovery project an in situ synthesis/screening protocol was employed to prepare 120 triazole-linked reduced amide isostere inhibitors. Among these compounds, four showed modest (single digit micromolar) BACE1 inhibition. Our ligand design was based on a potent reduced amide isostere 1, wherein the P 2 amide moiety was replaced with an anti-1,2,3-triazole unit. Unfortunately, this replacement resulted in a 1000-fold decrease in potency. Docking studies of triazole-linked reduced amide isostere A3Z10 and potent oxadiazole-linked tertiary carbinamine 2a with BACE1 suggests that the docking poses of A3Z10 and 2a in the active sites are quite similar, with one exception. In the docked structures the placement of the protonated amine that engages D228 differs considerably between 2a and A3Z10. This difference could account for the lower BACE1 inhibition potency of A3Z10 and related compounds relative to 2a.

PHENYL COMPOUNDS

Compounds of formula (I) or derivatives thereof: wherein A, B, Z, R, R, R, R, R, and R are as defined in the specification, a process for the preparation of such compounds, pharmaceutical compositions comprising such compounds and the use of such compounds in medicine.

Aromatic allylation via diazotization: Metal-free C-C bond formation

A new method for the synthesis of allyl aromatic compounds not involving any metal-containing reagent or catalyst has been developed. Arylamines substituted with a large number of different substituents were converted via diazotizative deamination with tert-butyl nitrite in allyl bromide and acetonitrile to the corresponding allyl aromatic compounds. The allylation reaction was found to be suitable for larger scale synthesis due to short reaction times, a nonextractive workup, and robustness toward moisture, air, and type of solvent.