22019-49-4

Basic information

• Product Name: 2-BROMO-1-(4-CHLORO-3-NITROPHENYL)ETHAN-1-ONE
• Synonyms: 2-BROMO-1-(4-CHLORO-3-NITROPHENYL)ETHAN-1-ONE;4-CHLORO-3-NITROPHENACYLBROMIDE;2-bromo-3-nitro-4-chloroacetophenone;2-Bromo-1-(4-chloro-3-nitrophenyl)ethan-1-one , Tech.
• CAS NO: 22019-49-4
• Molecular Formula: C₈H₅BrClNO₃
• Molecular Weight: 278.49
• Product Categories: Aromatic Halides (substituted)
• Mol File: 22019-49-4.mol

Chemical Properties

• Melting Point: 86-89°C
• Boiling Point: 336.1°Cat760mmHg
• Flash Point: 157.1°C
• Appearance: /
• Density: 1.763g/cm³
• Vapor Pressure: 0.000115mmHg at 25°C
• Refractive Index: 1.619
• CAS DataBase Reference: 2-BROMO-1-(4-CHLORO-3-NITROPHENYL)ETHAN-1-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-BROMO-1-(4-CHLORO-3-NITROPHENYL)ETHAN-1-ONE(22019-49-4)
• EPA Substance Registry System: 2-BROMO-1-(4-CHLORO-3-NITROPHENYL)ETHAN-1-ONE(22019-49-4)

Safety Data

• Hazard Codes: C:Corrosive
• Statements: 36/37/38
• Safety Statements: 22-24/25
• Hazardous Substances Data: 22019-49-4(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
2-BROMO-1-(4-CHLORO-3-NITROPHENYL)ETHAN-1-ONE is used as a versatile intermediate for the synthesis of various pharmaceuticals. Its alpha-bromo ketone structure allows for the development of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
2-BROMO-1-(4-CHLORO-3-NITROPHENYL)ETHAN-1-ONE is used as a building block in the synthesis of agrochemicals. Its reactivity and structural properties enable the creation of new compounds with potential applications in agriculture, such as pesticides and herbicides.
Used in Synthetic Cannabinoid Preparation:
2-BROMO-1-(4-CHLORO-3-NITROPHENYL)ETHAN-1-ONE is used in the preparation of synthetic cannabinoids. Its unique structure contributes to the development of compounds with potential psychoactive properties, which can be used for research or therapeutic purposes.

InChI:InChI=1/C8H5BrClNO3/c9-4-8(12)5-1-2-6(10)7(3-5)11(13)14/h1-3H,4H2

Upstream product

• 5465-65-6 4-chloro-3-nitroacetophenone 

Downstream Products

• 135718-52-4 6-(4-Chloro-3-nitro-phenyl)-2,3-dimethyl-imidazo[2,1-b]thiazole 
• 135718-56-8 2-Chloro-6-(4-chloro-3-nitro-phenyl)-imidazo[2,1-b]thiazole 
• 143417-76-9 N'-{1-[(Z)-2-(4-Chloro-3-nitro-phenyl)-2-oxo-ethylimino]-ethyl}-hydrazinecarboxylic acid ethyl ester 
• 126751-09-5 2-Amino-4-(4-chloro-3-nitrophenyl)thiazole 
• 61424-42-8 (+/-)-2-bromo-1-(4-chloro-3-nitrophenyl)ethanol 
• 308121-68-8 6-(4-chloro-3-nitrophenyl)imidazo[2,1-b]thiazole 
• 237384-27-9 methyl 4-[4-(4-chloro-3-nitrophenyl)(1,3-thiazol-2-yl)]-5-methylthiothiophene-2-carboxylate 
• 308121-70-2 6-(4-chloro-3-nitro-phenyl)-imidazo[2,1-b]thiazole-5-carbaldehyde 
• 126751-12-0 2-Amino-4-(4-amino-3-nitrophenyl)thiazole 
• 126751-11-9 2-Acetamido-4-(4-chloro-3-nitrophenyl)thiazole 
• 126751-18-6 [4-(4-Chloro-3-nitro-phenyl)-thiazol-2-yl]-carbamic acid methyl ester 
• 126751-19-7 [4-(4-Chloro-3-nitro-phenyl)-thiazol-2-yl]-carbamic acid ethyl ester 
• 126751-10-8 2-(N-Ethoxycarbonylthiocarboxamido)amino-5-(4-chloro-3-nitrophenyl)thiazole 
• 61424-41-7 1-(4-chloro-3-nitro-phenyl)-2-morpholin-4-yl-ethanol 

Relevant articles and documents

Nucleus-independent chemical shift (NICS) as a criterion for the design of new antifungal benzofuranones

The assertion made by Wu et al. that aromaticity may have considerable implications for molecular design motivated us to use nucleus-independent chemical shifts (NICS) as an aromaticity criterion to evaluate the antifungal activity of two series of indol-4-ones. A linear regression analysis of NICS and antifungal activity showed that both tested variables were significantly related (p –1 for Candida glabrata, Candida krusei and Candida guilliermondii with compounds 15-32, 15-15 and 15-1. The MIC for filamentous fungi was 1.95 μg·mL–1 for Aspergillus niger for compounds 15-1, 15-33 and 15-34. The results obtained support the use of NICS in the molecular design of compounds with antifungal activity.

NOVEL IMIDAZOPYRIMIDINE COMPOUNDS AND USES THEREOF

The present disclosure provides compounds of Formula (I), and pharmaceutically acceptable salts, solvates, hydrates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, prodrugs, and compositions thereof. The compounds des

Highlights of the Structure-Activity Relationships of Benzimidazole Linked Pyrrolidines Leading to the Discovery of the Hepatitis C Virus NS5A Inhibitor Pibrentasvir (ABT-530)

Curative interferon and ribavirin sparing treatments for hepatitis C virus (HCV)-infected patients require a combination of mechanistically orthogonal direct acting antivirals. A shared component of these treatments is usually an HCV NS5A inhibitor. First generation FDA approved treatments, including the component NS5A inhibitors, do not exhibit equivalent efficacy against HCV virus genotypes 1-6. In particular, these first generation NS5A inhibitors tend to select for viral drug resistance. Ombitasvir is a first generation HCV NS5A inhibitor included as a key component of Viekira Pak for the treatment of patients with HCV genotype 1 infection. Since the launch of next generation HCV treatments, functional cure for genotype 1-6 HCV infections has been achieved, as well as shortened treatment duration across a wider spectrum of genotypes. In this paper, we show how we have modified the anchor, linker, and end-cap architecture of our NS5A inhibitor design template to discover a next generation NS5A inhibitor pibrentasvir (ABT-530), which exhibits potent inhibition of the replication of wild-type genotype 1-6 HCV replicons, as well as improved activity against replicon variants demonstrating resistance against first generation NS5A inhibitors.

Synthesis, spectral characterization and biological evaluation of a novel series of 6-arylsubstituted-3-[2-(4-substitutedphenyl)propan-2-yl]-7H-[1,2,4] triazolo[3,4-b][1,3,4]thiadiazines

On account of the reported anticancer activity of triazolothiadiazines, we have synthesized a novel series of 6-arylsubstituted-3-[2-(4-substitutedphenyl) propan-2-yl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazines and tested for in-vitro cytotoxicity by trypan blue exclusion and MTT assay. These compounds were also evaluated for their in-vivo anthelmintic activity, as well as in-vitro antimicrobial studies. Amongst the tested compounds, the compound 7j was the most promising cytotoxic agent with IC50 value of 10.54 μM in MCF-7 cells. The compounds 7l and 7q exhibited excellent anthelmintic activity. The compounds 7d, 7f, 7j, 7l, 7o, 7p and 7r showed good antibacterial activity, whereas compounds 7e and 7k exhibited excellent antifungal activity. The structures of newly synthesized compounds were characterized by IR, 1H NMR, 13C NMR and LCMS analysis.

Anti-Viral Compounds

Compounds effective in inhibiting replication of Hepatitis C virus (“HCV”) are described. This invention also relates to processes of making such compounds, compositions comprising such compounds, and methods of using such compounds to treat HCV infection.

FUSED HETEROCYCLIC COMPOUND HAVING ANTI-HCV EFFECT

Disclosed is a compound represented by the formula (I) below, a pharmaceutically acceptable salt thereof, or a solvate of them. (I) (In the formula, A represents N or CH; Het represents any one of the following groups: (a), (b), (c), (d), (e), (f), (g), (h), (i), (j), (k) wherein R0 and R respectively represent a hydrogen, an optionally substituted alkyl, an optionally substituted cycloalkyl, an optionally substituted aryl or the like; R1 and R2 respectively represent a hydrogen, an optionally substituted alkyl, an optionally substituted alkenyl, an optionally substituted cycloalkyl, an optionally substituted aryl, an optionally substituted heteroaryl or the like; p is an integer of 0-3; and R3 represents an optionally substituted alkyl or the like.)