460079-82-7

Basic information

• Product Name: 3-BROMO-4-METHOXYBENZOIC ACID ETHYL ESTER
• Synonyms: 3-BROMO-4-METHOXYBENZOIC ACID ETHYL ESTER;Ethyl 3-broMo-4-Methoxybenzoate
• CAS NO: 460079-82-7
• Molecular Formula: C₁₀H₁₁BrO₃
• Molecular Weight: 259
• Product Categories: Aromatic Esters
• Mol File: 460079-82-7.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 313°C at 760 mmHg
• Flash Point: 143.1°C
• Appearance: /
• Density: 1.407g/cm³
• Vapor Pressure: 0.00051mmHg at 25°C
• Refractive Index: 1.532
• Storage Temp.: 2-8°C
• CAS DataBase Reference: 3-BROMO-4-METHOXYBENZOIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMO-4-METHOXYBENZOIC ACID ETHYL ESTER(460079-82-7)
• EPA Substance Registry System: 3-BROMO-4-METHOXYBENZOIC ACID ETHYL ESTER(460079-82-7)

Safety Data

• Hazardous Substances Data: 460079-82-7(Hazardous Substances Data)

Usage

General Description

3-Bromo-4-methoxybenzoic acid ethyl ester is a chemical compound with the formula C10H11BrO3. It is an ethyl ester derivative of 3-bromo-4-methoxybenzoic acid, which is a derivative of benzoic acid. 3-BROMO-4-METHOXYBENZOIC ACID ETHYL ESTER is utilized in organic synthesis and pharmaceutical research as an intermediate for the production of various compounds. It is a yellow to brownish powder with a melting point of around 90-92°C. This chemical is primarily used as an intermediate in the synthesis of other organic compounds and is not widely used in consumer products.

InChI:InChI=1/C10H11BrO3/c1-3-14-10(12)7-4-5-9(13-2)8(11)6-7/h4-6H,3H2,1-2H3

Upstream product

• 74-96-4 ethyl bromide 
• 21702-84-1 2,4-dibromoanisole 
• 64-17-5 ethanol 
• 99-58-1 3-bromo-4-methoxybenzoic acid 
• 94-30-4 ethyl 4-methoxybenzoate 

Downstream Products

• 200956-55-4 3-bromo-4-methoxybenzamide 
• 1359980-57-6 4-methoxy-3-(2-oxo-propylsulfanyl)-benzoic acid ethyl ester 
• 181136-33-4 3-bromo-4-methoxybenzohydrazide 
• 105401-94-3 ethyl 4-methoxy-3,5-dimethylbenzoate 

Relevant articles and documents

Structure-Activity Relationship of Phenylpyrazolones against Trypanosoma cruzi

Chagas disease is a neglected parasitic disease caused by the parasitic protozoan Trypanosoma cruzi and currently affects around 8 million people. Previously, 2-isopropyl-5-(4-methoxy-3-(pyridin-3-yl)phenyl)-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one (NPD-0227) was discovered to be a sub-micromolar inhibitor (pIC50=6.4) of T. cruzi. So far, SAR investigations of this scaffold have focused on the alkoxy substituent, the pyrazolone nitrogen substituent and the aromatic substituent of the core phenylpyrazolone. In this study, modifications of the phenyldihydropyrazolone scaffold are described. Variations were introduced by installing different substituents on the phenyl core, modifying the geminal dimethyl and installing various bio-isosteres of the dihydropyrazolone group. The anti T. cruzi activity of NPD-0227 could not be surpassed as the most potent compounds show pIC50 values of around 6.3. However, valuable additional SAR data for this interesting scaffold was obtained, and the data suggest that a scaffold hop is feasible as the pyrazolone moiety can be replaced by a oxazole or oxadiazole with minimal loss of activity.

AUTOTAXIN INHIBITORS AND USES THEREOF

Described herein are compounds that are inhibitors of autotaxin. Also described are pharmaceutical compositions and medicaments that include the compounds described herein, as well as methods of using such inhibitors, alone and in combination with other compounds, for treating autotaxin-dependent or autotaxin-mediated conditions or diseases.