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Usage

Uses

Used in Herbicide Formulation:
(4-CYANO-PHENOXY)-ACETIC ACID is used as an active ingredient in herbicide formulations for its potential herbicidal properties due to its structural features. It helps control the growth of unwanted plants and weeds in agricultural fields.
Used as an Intermediate in Organic Synthesis:
(4-CYANO-PHENOXY)-ACETIC ACID serves as an intermediate in the synthesis of various organic compounds. Its unique structure allows for the preparation of novel molecules with potential applications in different industries.
Used as a Building Block for Pharmaceutical Industry:
(4-CYANO-PHENOXY)-ACETIC ACID can act as a building block for the preparation of new molecules with potential biological activity. Its structural features make it a valuable component in the development of pharmaceutical compounds with therapeutic properties.

InChI:InChI=1/C9H7NO3/c10-5-7-1-3-8(4-2-7)13-6-9(11)12/h1-4H,6H2,(H,11,12)/p-1

Upstream product

• 767-00-0 4-cyanophenol 
• 79-11-8 chloroacetic acid 
• 30041-95-3 ethyl (4-cyano-phenoxy)-acetate 
• 79-08-3 bromoacetic acid 
• 147840-05-9 (4-Cyano-phenoxy)-acetic acid tert-butyl ester 

Downstream Products

• 194162-77-1 7-[2-(4-Cyano-phenoxy)-acetylamino]-heptanoic acid tert-butyl ester 
• 50-00-0 formaldehyd 
• 201230-82-2 carbon monoxide 
• 767-00-0 4-cyanophenol 
• 289913-78-6 2-(4-cyano-phenoxy)-N-(2-methylamino-5-nitro-phenyl)-acetamide 
• 211915-80-9 1-Methyl-2-[(4-cyanophenyl)oxymethyl]-benzimidazol-5-yl-sulfonic acid-N-methyl-N-(1-methyl-piperidin-4-yl)-amide 
• 1541988-05-9 N-[2-amino-6-(4-cyanophenyl)pyridin-3-yl]-2-(4-cyanophenoxy)acetamide 
• 1541988-06-0 4-[2-[(4-cyanophenoxy)methyl]-3H-imidazo[4,5-b]pyridin-5-yl]benzonitrile 
• 1541988-19-5 4-[(5-chloro-3H-imidazo[4,5-b]pyridin-2-yl)methoxy]benzonitrile 
• 1541988-22-0 4-[(5-chloro-3-methyl-3H-imidazo[4,5-b]pyridin-2-yl)methoxy]benzonitrile 
• 1541988-65-1 4-[(5-chloro-1-methyl-1H-imidazo[4,5-b]pyridin-2-yl)methoxy]benzonitrile 
• 1541988-24-2 4-[2-[(4-cyanophenoxy)methyl]-3-methyl-3H-imidazo[4,5-b]-pyridin-5-yl]benzonitrile 
• 1541987-89-6 N-[2-amino-6-[(4-cyanobenzyl)oxy]pyridin-3-yl]-2-(4-cyanophenoxy)acetamide 
• 1541987-92-1 4-[[5-(4-cyanobenzyloxy)-3H-imidazo[4,5-b]pyridin-2-yl]methoxy]benzonitrile 

Relevant academic research and scientific papers

Synthesis and evaluation of 1,4-naphthoquinone ether derivatives as SmTGR inhibitors and new anti-schistosomal drugs

Investigations regarding the chemistry and mechanism of action of 2-methyl-1,4-naphthoquinone (or menadione) derivatives revealed 3-phenoxymethyl menadiones as a novel anti-schistosomal chemical series. These newly synthesized compounds (1-7) and their di

Design and synthesis of heterocyclic cations for specific DNA recognition: From AT-rich to mixed-base-pair DNA sequences

The compounds synthesized in this research were designed with the goal of establishing a new paradigm for mixed-base-pair DNA sequence-specific recognition. The design scheme starts with a cell-permeable heterocyclic cation that binds to AT base pair sites in the DNA minor groove. Modifications were introduced in the original compound to include an H-bond accepting group to specifically recognize the G-NH that projects into the minor groove. Therefore, a series of heterocyclic cations substituted with an azabenzimidazole ring has been designed and synthesized for mixed-base-pair DNA recognition. The most successful compound, 12a, had an azabenzimidazole to recognize G and additional modifications for general minor groove interactions. It binds to the DNA site -AAAGTTT- more strongly than the -AAATTT- site without GC and indicates the design success. Structural modifications of 12a generally weakened binding. The interactions of the new compound with a variety of DNA sequences with and without GC base pairs were evaluated by thermal melting analysis, circular dichroism, fluorescence emission spectroscopy, surface plasmon resonance, and molecular modeling.

Design, synthesis and molecular docking of amide and urea derivatives as Escherichia coli PDHc-E1 inhibitors

By targeting the ThDP binding site of Escherichia coli PDHc-E1, two new 'open-chain' classes of E. coli PDHc-E1 inhibitors, amide and urea derivatives, were designed, synthesized, and evaluated. The amide derivatives of compound 6d, with 4-NO2 in the benzene ring, showed the most potent inhibition of E. coli PDHc-E1. The urea derivatives displayed more potent inhibitory activity than the corresponding amide derivatives with the same substituent. Molecular docking studies confirmed that the urea derivatives have more potency due to the two hydrogen bonds formed by two NH of urea with Glu522. The docking results also indicate it might help us to design more efficient PDHc-E1 inhibitors that could interact with Glu522.

Kinetics and mechanism of thermal gas-phase elimination of 2-aryloxyacetic acid

Rates of thermal gas-phase elimination of eleven 2-aryloxyacetic acid have been measured over a 45°C temperature range for each compound. Hammett correlation of the present kinetic data with the literature σ0 values of the given substituents gave a reaction ρ constant of 0.69 at 600 K; this is more than that for the gas-phase elimination parameter of 2-aryloxypropanoic acid (ρ = 0.26) and consistent with a transition state with some charge separation, suggesting a partial formation of carbocation. The implications of this observation for the thermal gas-phase elimination of α-aryloxycarboxylic acids are considered.

Use of conformationally restricted benzamidines as arginine surrogates in the design of platelet GPIIb-IIIa receptor antagonists

The use of 5,6-bicyclic amidines as arginine surrogates in the design of a novel class of potent platelet glycoprotein IIb-IIIa receptor (GPIIb-IIIa) antagonists is described. The additional conformational restriction offered by the bicyclic nucleus results in 20-400-fold increases in potency compared to the freely flexible, acyclic benzamidine counterpart. The design, synthesis, structure-activity relationships (SAR), and in vitro activity of this novel class of GPIIb-IIIa antagonists are presented.