40180-80-1

Usage

Uses

Used in Pharmaceutical Industry:
3'-BROMO-4'-METHYLACETOPHENONE is used as a starting material for the synthesis of mansonone E, which is then used to create mansonone E derivatives. These derivatives exhibit potent inhibitory effects on topoisomerase II (Topo II) and topoisomerase I (Topo I) enzymes, making them valuable as antitumor agents in the fight against cancer.
Additionally, 3'-BROMO-4'-METHYLACETOPHENONE is utilized as a reagent in the synthesis of BAF312, also known as Siponimod. 3'-BROMO-4'-METHYLACETOPHENONE has been investigated for its potential therapeutic effects in the treatment of patients suffering from relapsing-remitting multiple sclerosis, a chronic autoimmune disease that affects the central nervous system.

InChI:InChI=1/C9H9BrO/c1-6-3-4-8(7(2)11)5-9(6)10/h3-5H,1-2H3

Upstream product

• 122-00-9 para-methylacetophenone 
• 2437-76-5 2-bromo-p-cymene 
• 536-50-5 CH₃C₆H₄CH(CH₃)OH 
• 5333-27-7 1-(4-methyl-3-nitro-phenyl)-ethanone 
• 17071-24-8 1-(3-amino-4-methylphenyl)ethanone 

Downstream Products

• 65189-93-7 1-(3-bromo-4-methylphenyl)ethanol 
• 903522-22-5 C₁₁H₁₁BrN₂ 
• 943436-76-8 1-(3-bromo-4-methylphenyl)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutane-1-one 
• 1201633-89-7 C₁₃H₁₆BrNOS 
• 208989-24-6 1-bromo-2-(4-methyl-3-pentylphenyl)ethane 
• 1201633-84-2 2-(3-bromo-4-methylphenyl)acetic acid 
• 1201633-85-3 2-(3-Bromo-4-methylphenyl)ethanol 
• 1201633-88-6 2-(4-methyl-3-pentylphenyl)ethanol 
• 1201633-87-5 2-[4-methyl-3-(pent-1-enyl)phenyl]ethanol 
• 1201633-86-4 ethyl 2-(3-bromo-4-methylphenyl)acetate 
• 1190863-31-0 5-(3-Bromo-4-methylphenyl)-2-methyl-1 H-imidazole 
• 1190861-17-6 6-[2-Methyl-5-(2-methyl-1H-imidazol-5-yl)phenyl]-2',3',5',6'-tetrahydrospiro[indole-3,4'-pyran]-2(1H)-one 
• 1604809-74-6 2-methyl-5-(1H-pyrazol-3-yl)benzonitrile 
• 1604809-75-7 5-[1-(2,6-dimethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-methylbenzonitrile 

Relevant academic research and scientific papers

Synthesis method for aromatic ring bromination of acetophenones derivative

The invention relates to a synthesis method for aromatic ring bromination of an acetophenones derivative, and belongs to the technical field of organic synthesis. The synthesis method consists of twokinds of synthesis methods: method A, adding the acetophenone derivative into a first oxidizing agent and stirring to form a suspension system, controlling the temperature of the suspension system tobe 10-50 DEG C, adding a first reducing agent or a second reducing agent, stirring and reacting for 2-20 h, and performing aftertreatment after the reaction is completed to obtain the aromatic ring brominated acetophenone derivative; method B, adding the acetophenone derivative into the second reducing agent and stirring to form a suspension system, controlling the temperature of the suspension system to be 10-50 DEG C, then adding a second oxidizing agent or the first oxidizing agent, stirring and reacting for 2-20 h, and performing aftertreatment after the reaction is completed to obtain thearomatic ring brominated acetophenone derivative. According to the synthesis method provided by the invention, an inorganic and non-toxic bromination reagent is used, water is used as a reaction solvent, the prepared product is mutually incompatible with water, so that separation and the aftertreatment are convenient to perform, therefore, the synthesis method of the invention is applicable to large-scale industrial production of intermediate products for aromatic ring bromination of the acetophenones derivative.

Novel CLK1 inhibitors based on N-aryloxazol-2-amine skeleton - A possible way to dual VEGFR2 TK/CLK ligands

Background Inhibitors of CLK protein kinases suppress cell growth and induce apoptosis by modulating pre-mRNA splicing in cancer. CLK family kinases are also involved in alternative splicing and RNA processing in Duchenne muscular dystrophy, Alzheimer's disease, HIV-1, and influenza virus. Small inhibitors are valuable tools for better understanding the molecular mechanisms of splicing and may serve as seeds for a novel class of therapeutics. Achievements Here we describe a discovery of four novel CLK1 inhibitors possessing N-aryloxazol-2-amine skeleton. Their activity against CLK1 (IC50: 20, 30, 40 and 80 nM) and some other CMGC kinases, predicted CLK binding poses, synthesis and physico-chemical characteristics are also stated. Additionally analysis of all PDB available CLK structures and interactions of their ligands was performed. There are only few powerful dual CLK/VEGFR inhibitors known in the literature. We proposed that our inhibitors have similar binding places and interactions in CLK1, 3 and VEGFR2 TK mostly due to the joint N-aryloxazol-2-amine pharmacophoric fragment. One of our N-aryloxazol-2-amines already proved a good activity against both VEGFR2 and CLK1 enzymes (23/80 nM, resp). We proposed that the presented class of compounds has a potential to be developed in dual VEGFR2/CLK clinical compounds with prospective synergy to treat cancer.

SUBSTITUTED TOLYL FUNGICIDE MIXTURES

Disclosed is a fungicidal composition comprising (a) at least one compound selected from the compounds of Formula 1, N-oxides, and salts thereof, wherein A, Q, R1 and R2 are as defined in the disclosure; and (b) at least one additional fungicidal compound selected from those disclosed herein. Also disclosed is a method for controlling plant diseases caused by fungal plant pathogens comprising applying to the plant or portion thereof, or to the plant seed, a fungicidally effective amount of the aforesaid composition.

Fast oxidation of secondary alcohols by the bromate-bromide system using cyclic microwave heating in acidic water

We report an improved, gentle, cyclic microwave activation technique for the oxidation of secondary alcohols using nonhazardous hypobromous acid (BrOH) as the reagent in acidic water. Several aliphatic and aromatic secondary alcohols were successfully oxidized to the corresponding ketones using this technique in high yields and with only minor amounts of side products.

Polystyrene-supported palladacycle catalysts

This invention relates to a recyclable palladacycle catalyst of formula in which each is a single bond or a double bond, provided that if one is a double bond, its neighboring is not a double bond; each of X and Z, independently, is —P(R′)—, —S—, —N(R′)—,

Preparation of polystyrene-supported soluble palladacycle catalyst for Heck and Suzuki reactions

A polystyrene-supported palladium complex soluble in tetrahydrofuran and N,N-dimethylacetamide and precipitated in diethyl ether or acetonitrile was prepared from two routes as an excellent and recyclable palladacycle catalyst for carbon-carbon bond formation in Heck and Suzuki reactions to give high yields of the desired products.

Polystyrene-supported recyclable palladacycle catalyst for Heck, Suzuki and Sonogashira reactions

A new type of soluble polystyrene-supported palladium complex as an excellent and recyclable palladacycle catalyst was discovered for carbon-carbon bond formation in Heck, Suzuki and Sonogashira reactions. Precipitation and filtration process for recycling the catalyst was also achieved.