61657-67-8

Basic information

• Product Name: 3,5-DIBROMO-2-ETHOXYBENZALDEHYDE
• Synonyms: ZERENEX E/4048025;3,5-DIBROMO-2-ETHOXYBENZALDEHYDE;AKOS B028996;AKOS BBS-00006762
• CAS NO: 61657-67-8
• Molecular Formula: C₉H₈Br₂O₂
• Molecular Weight: 307.97
• Mol File: 61657-67-8.mol
• Article Data: 1

Chemical Properties

• Melting Point: 87 °C
• Boiling Point: 343 °C at 760 mmHg
• Flash Point: 161.3 °C
• Appearance: /
• Density: 1.77 g/cm³
• Vapor Pressure: 7.23E-05mmHg at 25°C
• Refractive Index: 1.602
• CAS DataBase Reference: 3,5-DIBROMO-2-ETHOXYBENZALDEHYDE(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-DIBROMO-2-ETHOXYBENZALDEHYDE(61657-67-8)
• EPA Substance Registry System: 3,5-DIBROMO-2-ETHOXYBENZALDEHYDE(61657-67-8)

Safety Data

• Hazard Codes: Xi
• Hazardous Substances Data: 61657-67-8(Hazardous Substances Data)

Usage

General Description

3,5-DIBROMO-2-ETHOXYBENZALDEHYDE is a chemical compound with the molecular formula C9H8Br2O2. It is a beige to light brown crystalline solid with a strong odor. 3,5-DIBROMO-2-ETHOXYBENZALDEHYDE is commonly used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. It has also been studied for its potential use as a corrosion inhibitor in metalworking fluids. 3,5-DIBROMO-2-ETHOXYBENZALDEHYDE is known for its strong reactivity and it should be handled with care due to its potential hazards.

InChI:InChI=1/C9H8Br2O2/c1-2-13-9-6(5-12)3-7(10)4-8(9)11/h3-5H,2H2,1H3

Upstream product

• 90-59-5 3,5-Dibromosalicylaldehyde 
• 75-03-6 ethyl iodide 
• 74-96-4 ethyl bromide 

Downstream Products

• 87540-17-8 3-(3,5-Dibromo-2-ethoxy-phenyl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[3,4-a]phthalazine 
• 113628-57-2 6-Chloro-3-(3,5-dibromo-2-ethoxy-phenyl)-[1,2,4]triazolo[3,4-a]phthalazine 
• 87539-62-6 N-(4-Chloro-phthalazin-1-yl)-N'-[1-(3,5-dibromo-2-ethoxy-phenyl)-meth-(E)-ylidene]-hydrazine 

Relevant articles and documents

Optimization of a binding fragment targeting the “enlarged methionine pocket” leads to potent Trypanosoma brucei methionyl-tRNA synthetase inhibitors

Potent inhibitors of Trypanosoma brucei methionyl-tRNA synthetase were previously designed using a structure-guided approach. Compounds 1 and 2 were the most active compounds in the cyclic and linear linker series, respectively. To further improve cellular potency, SAR investigation of a binding fragment targeting the “enlarged methionine pocket” (EMP) was performed. The optimization led to the identification of a 6,8-dichloro-tetrahydroquinoline ring as a favorable fragment to bind the EMP. Replacement of 3,5-dichloro-benzyl group (the EMP binding fragment) of inhibitor 2 using this tetrahydroquinoline fragment resulted in compound 13, that exhibited an EC50 of 4?nM.