5029-61-8

Basic information

• Product Name: 2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE
• Synonyms: α-Bromo-3'-nitro-4'-hydroxyacetophenone;2-broMo-1-(4-hydroxy-3-nitrophenyl)ethan-1-one;2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE;2-bromo-3-nitro-4-hydroxyacetophenone;alpha-bromo-4-hydroxy-3-nitroacetophenone;2-bromo-1-(4-hydroxy-3-nitrophenyl)ethanone
• CAS NO: 5029-61-8
• Molecular Formula: C₈H₆BrNO₄
• Molecular Weight: 260.04
• Mol File: 5029-61-8.mol
• Article Data: 4

Chemical Properties

• Melting Point: 93℃
• Boiling Point: 331.6 °C at 760 mmHg
• Flash Point: 154.4 °C
• Appearance: /
• Density: 1.8 g/cm³
• Vapor Pressure: 7.99E-05mmHg at 25°C
• Refractive Index: 1.646
• PKA: 4.77±0.14(Predicted)
• CAS DataBase Reference: 2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE(5029-61-8)
• EPA Substance Registry System: 2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE(5029-61-8)

Safety Data

• Statements: 36
• Safety Statements: 26
• Hazardous Substances Data: 5029-61-8(Hazardous Substances Data)

Usage

General Description

2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE, also known as 4'-Hydroxy-3'-nitroacetophenone bromide, is a chemical compound with the molecular formula C8H6BrNO4. It is a yellow crystalline solid with a molecular weight of 257.04 g/mol. 2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE is commonly used in organic synthesis and as an intermediate in the production of pharmaceuticals and agrochemicals. It is also known for its use in the development of various chemical reactions in the field of organic chemistry. Additionally, 2-BROMO-4'-HYDROXY-3'-NITROACETOPHENONE is known to have potential biological activities and may have applications in the development of new therapeutic agents.

InChI:InChI=1/C8H6BrNO4/c9-4-8(12)5-1-2-7(11)6(3-5)10(13)14/h1-3,11H,4H2

Upstream product

• 2491-38-5 2-bromo-1-(4'-hydroxyphenyl)-1-ethanone 
• 6322-56-1 4'-hydroxy-3'-nitroacetophenone 

Downstream Products

• 870521-02-1 {4-[4-(3-amino-4-hydroxy-phenyl)-thiazol-2-ylmethoxy]-2-methyl-phenoxy}-acetic acid ethyl ester 

Relevant articles and documents

Formoterol important intermediate and synthesis method thereof

The invention discloses a formoterol important intermediate and a synthesis method thereof. 2-bromo-4'-hydroxyacetophenone is used as a raw material. The synthesis method comprises the following steps: dissolving the raw material in concentrated sulfuric acid, adding nitric acid to obtain an intermediate I, dissolving the intermediate I in dichloromethane, adding tert-butyl dimethyl chlorosilane and triethylamine to obtain an intermediate II, dissolving the intermediate II in anhydrous tetrahydrofuran, adding (R)-2-methyl-CBS-oxazboroline and borane-tetrahydrofuran to obtain a chiral intermediate III, dissolving the intermediate III in anhydrous 1,4-dioxane, and adding sodium methoxide to obtain the final product. The synthesis method has the advantages of low cost, simple operation process, low synthesis difficulty and high product yield.

Electrophilic tetraalkylammonium nitrate nitration. II. Improved anhydrous aromatic and heteroaromatic mononitration with tetramethylammonium nitrate and triflic anhydride, including selected microwave examples

A new one-pot nitration employing tetramethylammonium nitrate and trifluoromethanesulfonic anhydride in dichloromethane to provide a ready source of the nitronium triflate nitrating agent is presented. Rapid and selective nitration with a variety of aromatic and heteroaromatic substrates is achieved resulting in the synthesis of several novel organic compounds. A distinct advantage is the removal of undesired byproducts by aqueous workup. This very mild nitration permits large-scale syntheses and gives high isolated product yields that often require no further purification. This tetramethylammonium nitrate-based nitration also has been applied to microwave-assisted conditions, and the results with several compounds are outlined.