71682-94-5

Usage

Uses

Used in Pharmaceutical Industry:
3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE is used as a chemical intermediate for the synthesis of pharmaceutical compounds, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE is used as a building block in the production of agrochemicals, aiding in the creation of pesticides and other agricultural chemicals to enhance crop protection and yield.
Used in Research and Development:
3-OXO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE is used as a research compound for exploring its potential applications in organic synthesis and medicinal chemistry, facilitating the discovery of novel chemical entities and therapeutic strategies.

InChI:InChI=1/C10H6F3NO/c11-10(12,13)8-3-1-7(2-4-8)9(15)5-6-14/h1-4H,5H2

Upstream product

• 1448887-34-0 methyl 3-oxo-3-(4-(trifluoromethyl)phenyl) propanedithioate 
• 128796-39-4 4-trifluoromethylphenylboronic acid 
• 109-77-3 malononitrile 
• 709-63-7 1-(4-trifluoromethylphenyl)ethanone 
• 773837-37-9 sodium cyanide 
• 383-53-9 2-bromo-1-[4-(trifluoromethyl)phenyl]ethanone 
• 455-24-3 4-trifluoromethylbenzoic acid 
• 2967-66-0 methyl 4-(trifluoromethyl)benzoate 
• 455-18-5 4-CF₃C₆H₄CN 
• 329-15-7 4-trifluoromethyl-phenyl acetyl chloride 
• 122454-38-0 2-Cyano-3-oxo-3-(4-trifluoromethyl-phenyl)-propionic acid tert-butyl ester 
• 71682-89-8 3-amino-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile 
• 75-05-8 acetonitrile 

Downstream Products

• 1401051-46-4 5-trifluoromethyl-2,3,7,8-tetraphenylnaphtho[1,8-bc]pyran-9-carbonitrile 
• 1415336-64-9 2-[4-(trifluoromethyl)benzoyl]-7-(trimethylsilyl)hept-6-ynenitrile 
• 1452831-77-4 methyl 5-cyano-6,7-dihydro-6-oxo-3-[4-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridine-4-carboxylate 
• 130599-34-7 5-(4-trifluoromethylphenyl)-2H-pyrazole-3-ylamine 
• 639784-33-1 [2-Methyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-thiphen-3-YLMETHYLENE-AMINE 
• 639784-87-5 (2-METHOXYBENZYLIDENE)-[2-METHYL-5-(4-TRIFLUOROMETHYLPHENYL)-2H-PYRAZOL-3-YL] amine 
• 639784-31-9 (4-METHOXY-BENZYLIDENE)-[2-METHYL-5-(4-TRIFLUOROMETHYL-PHENYI)-2H-PYRAZOL-3-YL]-amine 
• 639784-34-2 [2-METHYL-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-thiphen-3-ylmethyl-amine 
• 1374255-13-6 (2-FLUOROBENZYLIDENE)-[2-METHYL-5-(4-TRIFLUOROMETHYLPHENYL)-2H-PYRAZOL-3-YL] amine 
• 639784-35-3 (4-FLUORO-BENZYLIDENE)-[2-METHYL-5-(4-TRIFLUOROMETHYL-PHENYL)-2H-PYRAZOL-3-YL]-amine 
• 1374255-14-7 (2-Fluorobenzyl)-[2-methyl-5-(4-trifluoromethylphenyl)-2H-pyrazol-3-yl] amine 
• 639784-36-4 (4-Fluoro-benzyl)-[2-methyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-amine 
• 639783-51-0 12 
• 639784-14-8 2-Methyl-2-(2-methyl-4-{([2-methyl-5-(4-trifluoromethylphenyl)-2H-Pyrazol-3-yl][2-fluorobenzyl]amino) METHYL}PHENOXY) PROPIONIC ACID 

Relevant academic research and scientific papers

Asymmetric Hydroacylation Involving Alkene Isomerization for the Construction of C3-Chirogenic Center

A new transformation pattern for enantioselective intramolecular hydroacylation has been developed involving an alkene isomerization strategy. Proceeding through a five-membered rhodacycle intermediate, 3-enals were converted to C3- or C3,C5-chirogenic cyclopentanones with satisfactory yields, diastereoselectivities, and enantioselectivities. A catalytic cycle has been theoretically calculated and the origin of the stereoselection is rationally explained.

Polysubstituted heterocyclic derivative, preparation method thereof and application of polysubstituted heterocyclic derivative in medicine

The invention provides a polysubstituted heterocyclic derivative, a preparation method thereof and application of the polysubstituted heterocyclic derivative in medicine, and belongs to the technical field of medicinal chemistry. The polysubstituted heterocyclic derivative is a compound shown in a general formula I or II, a pharmaceutically acceptable salt or a solvate of the compound, and the compound can inhibit mRNA demethylase on the protease level and is used for treating diseases related to mRNA demethylase functions.

Selective Synthesis of β-Ketonitriles via Catalytic Carbopalladation of Dinitriles

A practical, convenient, and highly selective method of synthesizing β-ketonitriles from the Pd-catalyzed addition of organoboron reagents to dinitriles has been developed. This method provides excellent functional-group tolerance, a broad scope of substrates, and the convenience of using commercially available substrates. The method is expected to show further utility in future synthetic procedures.

Reaction of 1,3-Bis(het)arylmonothio-1,3-diketones with Sodium Azide: Regioselective Synthesis of 3,5-Bis(het)arylisoxazoles via Intramolecular N-O Bond Formation

An efficient new synthesis of 3,5-bis(het)arylisoxazoles, involving the reaction of 1,3-bis(het)arylmonothio-1,3-diketones with sodium azide in the presence of IBX catalyst, has been reported. The reaction proceeds at room temperature in high yields and is applicable to a broad range of substrates including the synthesis of 5-methyl-3-arylisoxazoles, a key subunit present in several β-lactamase-resistant antibiotics. A probable mechanism for the formation of isoxazoles has been suggested. A few of the 5-styryl/arylbutadienyl-3-(het)arylisoxazoles have also been synthesized by reacting the corresponding 1-(het)aryl-1-(methylthio)-4-(het)arylidene-but-1-en-3-ones with sodium azide at higher temperatures. The reaction of β-ketodithioesters with sodium azide is shown to furnish β-ketonitriles in good yields.

Synthesis and Structure-Activity Relationship of Dual-Stage Antimalarial Pyrazolo[3,4- b]pyridines

Malaria remains one of the most deadly infectious diseases, causing hundreds of thousands of deaths each year, primarily in young children and pregnant mothers. Here, we report the discovery and derivatization of a series of pyrazolo[3,4-b]pyridines targeting Plasmodium falciparum, the deadliest species of the malaria parasite. Hit compounds in this series display sub-micromolar in vitro activity against the intraerythrocytic stage of the parasite as well as little to no toxicity against the human fibroblast BJ and liver HepG2 cell lines. In addition, our hit compounds show good activity against the liver stage of the parasite but little activity against the gametocyte stage. Parasitological profiles, including rate of killing, docking, and molecular dynamics studies, suggest that our compounds may target the Qo binding site of cytochrome bc1.

Microwave synthesis of 1-aryl-1H-pyrazole-5-amines

A microwave-mediated synthesis of 1H-pyrazole-5-amines utilizing 1 M HCl at 150 °C was developed in order to provide products in a matter of minutes with minimal purification. Most reactions are complete in only 10 min and can be isolated via a simple filtration without the need for further purification by column chromatography or recrystallization. This method tolerates a range of functional groups and can be performed on milligram to gram scales.

Preparation of 3,4-Substituted-5-Aminopyrazoles and 4-Substituted-2-Aminothiazoles

3,4-Substituted-5-aminopyrazoles and 4-substituted-2-aminothiazoles are frequently used intermediates in medicinal chemistry and drug discovery projects. We report an expedient flexible synthesis of 3,4-substituted-5-aminopyrazoles (35 examples), based on palladium-mediated α-arylation of β-ketonitriles with aryl bromides. A library of 4-substituted-2-aminothiazoles (21 examples) was assembled by a sequence employing Suzuki coupling of newly prepared, properly protected pinacol ester and MIDA ester of 4-boronic acid-2-aminothiazole with (hetero)aryl halides.

Discovery of a novel alpha-7 nicotinic acetylcholine receptor agonist series and characterization of the potent, selective, and orally efficacious agonist 5-(4-acetyl[1,4]diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H- pyrazol-3-yl] amide (SEN15924, WAY-361789)

Alpha-7 nicotinic acetylcholine receptors (α7 nAChR) are implicated in the modulation of many cognitive functions such as attention, working memory, and episodic memory. For this reason, α7 nAChR agonists represent promising therapeutic candidates for the treatment of cognitive impairment associated with Alzheimer's disease (AD) and schizophrenia. A medicinal chemistry effort, around our previously reported chemical series, permitted the discovery of a novel class of α7 nAChR agonists with improved selectivity, in particular against the α3 receptor subtype and better ADME profile. The exploration of this series led to the identification of 5-(4-acetyl[1,4] diazepan-1-yl)pentanoic acid [5-(4-methoxyphenyl)-1H-pyrazol-3-yl] amide (25, SEN15924, WAY-361789), a novel, full agonist of the α7 nAChR that was evaluated in vitro and in vivo. Compound 25 proved to be potent and selective, and it demonstrated a fair pharmacokinetic profile accompanied by efficacy in rodent behavioral cognition models (novel object recognition and auditory sensory gating).

NOVEL HERBICIDES, USAGE THEREOF, NOVEL THIENOPYRIMIDINE DERIVATIVES, INTERMEDIATES OF THE SAME, AND PROCESS FOR PRODUCTION THEREOF

A herbicide comprising, as an active ingredient, a substituted thienopyrimidine derivative represented by the formula (I): wherein all symbols are defined in the description, a method of using the same, a novel compound useful as the herbicide and a process for producing the same, and an intermediate thereof.

CHEMICAL COMPOUNDS

A compound of formula (I) or a pharmaceutically acceptable salt, solvate, or hydrolysable ester thereof, wherein: (...).