1147871-74-6

Basic information

• Product Name: 1-(3-broMo-5-fluorophenyl)-2-Methylpropan-1-one
• Synonyms: 1-Propanone,1-(3-bromo-5-fluorophenyl)-2-methyl-
• CAS NO: 1147871-74-6
• Molecular Formula: C₁₀H₁₀BrFO
• Molecular Weight: 245.0882032
• Mol File: 1147871-74-6.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 1-(3-broMo-5-fluorophenyl)-2-Methylpropan-1-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(3-broMo-5-fluorophenyl)-2-Methylpropan-1-one(1147871-74-6)
• EPA Substance Registry System: 1-(3-broMo-5-fluorophenyl)-2-Methylpropan-1-one(1147871-74-6)

Safety Data

• Hazardous Substances Data: 1147871-74-6(Hazardous Substances Data)

Usage

Functional groups

Ketone, Bromine, Fluorine

Structure

A benzene ring with a bromine atom at the 3rd position and a fluorine atom at the 5th position, connected to a 2-methylpropan-1-one group

Appearance

Unknown, but likely a solid or liquid depending on the conditions

Solubility

Unknown, but likely soluble in organic solvents such as ethanol or acetone

Stability

Stable under normal conditions, but may decompose upon exposure to heat, light, or strong oxidizing agents

Reactivity

Reacts with nucleophiles, reducing agents, and other reagents that can react with ketones, bromines, or fluorines

Uses

Intermediate in the synthesis of pharmaceuticals and agrochemicals, potential use in the treatment of neurological disorders and cancer, chemical building block for the preparation of a wide range of organic compounds

Hazards

Potentially toxic, corrosive, or harmful if ingested, inhaled, or absorbed through the skin; proper handling and storage required

Regulatory status

May be subject to specific regulations depending on the intended use and location, such as the Environmental Protection Agency (EPA) or the European Chemicals Agency (ECHA).

Upstream product

• 1435-51-4 1,3-dibromo-5-fluorobenzene 
• 79-30-1 isobutyryl chloride 
• 113778-69-1 N-methoxy-N-methyl-isobutyramide 

Downstream Products

• 1147871-75-7 C₁₀H₉BrF₂O 

Relevant articles and documents

Antimalarial Inhibitors Targeting Serine Hydroxymethyltransferase (SHMT) with in Vivo Efficacy and Analysis of their Binding Mode Based on X-ray Cocrystal Structures

Target-based approaches toward new antimalarial treatments are highly valuable to prevent resistance development. We report several series of pyrazolopyran-based inhibitors targeting the enzyme serine hydroxymethyltransferase (SHMT), designed to improve microsomal metabolic stability and to identify suitable candidates for in vivo efficacy evaluation. The best ligands inhibited Plasmodium falciparum (Pf) and Arabidopsis thaliana (At) SHMT in target assays and PfNF54 strains in cell-based assays with values in the low nanomolar range (3.2-55 nM). A set of carboxylate derivatives demonstrated markedly improved in vitro metabolic stability (t1/2 > 2 h). A selected ligand showed significant in vivo efficacy with 73% of parasitemia reduction in a mouse model. Five new cocrystal structures with PvSHMT were solved at 2.3-2.6 ? resolution, revealing a unique water-mediated interaction with Tyr63 at the end of the para-Aminobenzoate channel. They also displayed the high degree of conformational flexibility of the Cys364-loop lining this channel.