79670-17-0

Basic information

• Product Name: 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER
• Synonyms: 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER;Methyl 5-bromo-2-(bromomethyl)benzoate;Methyl 2-broMoMethyl-5-broMobenzoate;Benzoic acid, 5-bromo-2-(bromomethyl)-, methyl ester
• CAS NO: 79670-17-0
• Molecular Formula: C₉H₈Br₂O₂
• Molecular Weight: 307.98
• Mol File: 79670-17-0.mol
• Article Data: 44

Chemical Properties

• Boiling Point: 349.658°C at 760 mmHg
• Flash Point: 165.267°C
• Appearance: /
• Density: 1.78g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.59
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• CAS DataBase Reference: 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER(79670-17-0)
• EPA Substance Registry System: 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER(79670-17-0)

Safety Data

• Hazardous Substances Data: 79670-17-0(Hazardous Substances Data)

Usage

Description

5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER is a chemical compound characterized by the molecular formula C9H8Br2O2. It is a colorless to yellow solid that is soluble in organic solvents such as methanol and ethanol. 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER contains two bromine atoms and a benzoic acid functional group, which contribute to its versatile reactivity and potential applications in various chemical reactions. It is commonly utilized in the research and development of new chemical compounds, particularly as an intermediate in the synthesis of pharmaceuticals and agrochemicals.

Uses

Used in Pharmaceutical Industry:
5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER is used as an intermediate in the synthesis of various pharmaceuticals for its ability to facilitate the creation of new drug molecules. Its bromine atoms and benzoic acid functional group enable it to participate in a range of chemical reactions, making it a valuable component in the development of novel therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER serves as an intermediate in the synthesis of agrochemicals, contributing to the development of new compounds for agricultural applications. Its chemical properties allow it to be incorporated into the structures of pesticides, herbicides, and other agrochemical products to enhance their effectiveness and target specific pests or weeds.
Used in Research and Development:
5-BROMO-2-BROMOMETHYL-BENZOIC ACID METHYL ESTER is utilized in research and development for its potential applications in creating new chemical compounds. Its versatile reactivity and the presence of bromine atoms make it a promising candidate for exploring novel chemical reactions and syntheses, leading to the discovery of innovative materials and substances with various applications.

InChI:InChI=1/C9H8Br2O2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3

Upstream product

• 99548-54-6 methyl 3-bromo-2-methylbenzoate 
• 79669-50-4 methyl 2-methyl-5-bromobenzoate 
• 79669-49-1 5-bromo-2-methylbenzoic acid 
• 118-90-1 ortho-methylbenzoic acid 
• 128-08-5 N-Bromosuccinimide 

Downstream Products

• 79669-61-7 Methyl 5-Bromo-α-(3,4-methylenedioxyphenoxy)-o-toluate 
• 1313580-19-6 (S)-methyl 2-(6-(5-(3-(2-chlorophenyl)ureido)pyridin-2-yl)-1-oxoisoindolin-2-yl)-3-methylbutanoate 
• 1313577-97-7 (S)-2-(6-(5-(3-(2-chlorophenyl)ureido)pyridin-2-yl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid 
• 1313580-21-0 (S)-methyl 2-(6-(5-(4-tert-butylbenzamido)pyridin-2-yl)-1-oxoisoindolin-2-yl)-3-methylbutanoate 
• 1313578-02-7 (S)-2-(6-(5-(4-tert-butylbenzamido)pyridin-2-yl)-1-oxoisoindolin-2-yl)-3-methylbutanoic acid 
• 676134-68-2 6-bromoisochroman-4-one 
• 1574531-86-4 2-[(bis-pyridin-2-ylmethylamino)-methyl]-5-bromobenzoic acid methyl ester 
• 1574531-87-5 2-[(bis-pyridin-2-ylmethylamino)-methyl]-5-bromobenzoic acid 
• 1186484-31-0 5-bromo-2-[2-(2,3-difluoro-phenyl)-imidazo[4,5-d]pyridazin-5-ylmethyl]-benzoic acid methyl ester 
• 1016163-89-5 methyl 5-bromo-2- formylbenzoate 
• 947616-78-6 (4-bromo-2-(methoxycarbonyl)benzyl)triphenylphosphonium bromide 
• 79669-51-5 Methyl 5-Bromo-α-phenoxy-o-toluate 
• 79669-56-0 Methyl 5-Bromo-α-(3-isopropylphenoxy)-o-toluate 
• 860000-78-8 methyl 2-(benzyloxy)-5-bromobenzoate 

Relevant articles and documents

Discovery of 2H-chromone-4-one based sulfonamide derivatives as potent retinoic acid receptor-related orphan receptor γt inverse agonists

Retinoic acid receptor related orphan receptor γt (RORγt), identified as the essential functional regulator of IL-17 producing Th17 cells, is an attractive drug target for treating autoimmune diseases. Starting from the reported GSK2981278 (Phase II), we structurally modified and synthesized a series of 2H-chromone-4-one based sulfonamide derivatives as novel RORγt inverse agonists, which significantly improved their human metabolic stabilities while maintaining a potent RORγt inverse agonist profile. Efforts in reducing the lipophilicity and improving the LLE values led to the discovery of c9, which demonstrated potent RORγt inverse agonistic activity and consistent metabolic stability. During in vivo studies, oral administration of compound c9 exhibited a robust and dose-dependent inhibition of IL-17A cytokine expression and significantly lessened the skin inflammatory symptoms in the mouse imiquimod-induced skin inflammation model. Docking analysis of the binding mode revealed that c9 can suitably occupy the active pocket, and the introduction of the morpholine pyridine group can interact with Leu396, His479, and Cys393. Thus, compound c9 was selected as a preclinical compound for treating Th17-driven autoimmune diseases.

COMPOUNDS AND USES THEREOF

The present disclosure features compounds useful for the treatment of BAF complex-related disorders.

Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate

Isoindolinones are ubiquitous structural motifs in natural products and pharmaceuticals. Establishing an efficient method for structural modification of isoindolinones could significantly facilitate new drug development. Herein, we describe copper-promoted direct amidation of isoindolinone scaffolds mediated by sodium persulfate. The method exhibits mild reaction conditions and high site-selectivity, and enables the structural modification of the drug indobufen ester with various amides with yields of 49 to 98%. It is also gram-scalable. Additionally, the reaction mechanism appears to involve a radical and a carbocationic pathway.