4640-68-0

Usage

Uses

Used in Pharmaceutical Industry:
3,4-Dichlorobenzoyl acetonitrile is used as a chemical intermediate for the synthesis of various pharmaceuticals. Its unique structure allows it to be a key component in the development of new drugs, contributing to the advancement of medicinal chemistry.
Used in Agrochemical Industry:
In the agrochemical sector, 3,4-dichlorobenzoyl acetonitrile is utilized as an intermediate in the production of pesticides and other agrochemicals. Its properties make it suitable for the creation of effective compounds that can protect crops and enhance agricultural productivity.
Used in Organic Synthesis:
3,4-Dichlorobenzoyl acetonitrile is employed as a building block in the preparation of various organic compounds. Its versatility in chemical reactions enables the synthesis of a wide range of organic molecules, expanding the scope of organic chemistry and its applications in different fields.

InChI:InChI=1/C9H5Cl2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5H,3H2

Upstream product

• 2905-68-2 methyl 3,4-dichlorobenzoate 
• 75-05-8 acetonitrile 
• 51-44-5 3,4-dichlorbenzoic acid 
• 372-09-8 cyanoacetic acid 
• 3024-72-4 3,4-dichlorobenzoyl chloride 
• 18293-53-3 2-trimethylsilylacetonitrile 
• 201230-82-2 carbon monoxide 
• 20555-91-3 3,4-dichloroiodobenzene 
• 773837-37-9 sodium cyanide 
• 2632-10-2 2-bromo-1-(3,4-dichlorophenyl)ethanone 
• 909301-59-3 3-chloro-3-(3,4-dichlorophenyl)-2-propenenitrile 
• 2642-63-9 3',4'-dichloroacetophenone 
• 13939-06-5 molybdenum hexacarbonyl 

Downstream Products

• 53882-71-6 Dithiophosphoric acid O-[(E)-2-cyano-1-(3,4-dichloro-phenyl)-vinyl] ester O'-ethyl ester S-propyl ester 
• 914644-04-5 2-amino-3-(3,4-dichloro-benzoyl)-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid tert-butyl ester 
• 893383-55-6 (2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)-(3,4-dichloro-phenyl)-methanone 
• 522600-25-5 7-amino-5-(3,4-dichloro-phenyl)-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid 
• 208519-10-2 5-(3,4-dichloro-phenyl)-1H-pyrazol-3-ylamine 
• 1223425-46-4 (2-amino-6-[2-(4-nitrophenoxy)ethyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-(3,4-dichlorophenyl)-methanone 
• 1223425-48-6 (2-amino-6-[3-(4-nitrophenoxy)propyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-(3,4-dichlorophenyl)-methanone 
• 1223426-01-4 (2-amino-6-[4-(4-nitrophenoxy)butyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-(3,4-dichlorophenyl)-methanone 
• 1223425-50-0 (2-amino-6-[5-(4-nitrophenoxy)pentyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-(3,4-dichlorophenyl)-methanone 
• 1223426-04-7 (2-amino-6-[6-(4-nitrophenoxy)hexyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-(3,4-dichlorophenyl)-methanone 
• 1223426-06-9 (2-amino-6-[7-(4-nitrophenoxy)heptyl]-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-3-yl)-(3,4-dichlorophenyl)-methanone 

Relevant academic research and scientific papers

Deadly KCN and pricey metal free track for accessing β-ketonitriles employing mild reaction conditions

A one pot synthesis of β-ketonitriles from readily accessible 3-chloropropenals using economically benign iodine, aqueous ammonia and sodium hydroxide solution, employing mild reaction conditions have been described. This report presents a convenient, inexpensive, highly toxic-matter-free and eco-friendly approach for β-ketonitriles.

One-pot synthesis of benzoylacetonitriles through sequential Pd-catalyzed carbonylation and decarboxylation

Benzoylacetonitrile were prepared through sequential carbonylation and decarboxylation. The palladium-catalyzed carbonylation of aryl iodides and methyl cyanoacetate using Mo(CO)6 as a carbon monoxide source afforded beta-keto cyanoesters, and then the subsequent reaction with Li/H2O produced the desired benzoylacetonitriles.

Discovery of mixed type thymidine phosphorylase inhibitors endowed with antiangiogenic properties: Synthesis, pharmacological evaluation and molecular docking study of 2-thioxo-pyrazolo[1,5-a][1,3,5]triazin-4-ones. Part II

In our drug discovery program, a series of 2-thioxo-pyrazolo[1,5-a][1,3,5] triazin-4-ones were designed, synthesized and evaluated for their TP inhibitory potential. All the synthesized analogues conferred a varying degree of TP inhibitory activity, comparable or better than positive control, 7-deazaxanthine (7-DX, 2) (IC50 value = 42.63 μM). A systematic approach to the lead optimization identified compounds 3c and 4a as the most promising TP inhibitors, exhibiting mixed mode of enzyme inhibition. Moreover, selected compounds demonstrated the ability to attenuate the expression of the angiogenic markers (viz. MMP-9 and VEGF) in MDA-MB-231 cells at sublethal concentrations. In addition, molecular docking studies revealed the plausible binding orientation of these inhibitors towards TP, which was in accordance with the experimental results. Taken as a whole, these compounds would constitute a new direction for the design of novel TP inhibitors with promising antiangiogenic properties.

Expanding the scaffold for bacterial RNA polymerase inhibitors: Design, synthesis and structure-activity relationships of ureido-heterocyclic-carboxylic acids

The emergence of bacterial resistance requires the development of new antibiotics with an alternative mode of action. Based on class I, developed in our previous study, a new series of RNA polymerase (RNAP) inhibitors targeting the switch region was desig

Synthesis of benzoylacetonitriles from Pd-catalyzed carbonylation of aryl iodides and trimethylsilylacetonitrile

Palladium-catalyzed carbonylation of aryl iodides and trimethylsilylacetonitrile to produce benzoylacetonitrile derivatives through a one-pot, three-component reaction is described. This preparation method provides good yields of the carbonylated products without any additional ligands. It has a broad substrate scope with a high tolerance for a variety of functional groups.

Palladium-catalyzed carbonylation with Mo(CO)for the synthesis of benzoylacetonitriles

Benzoylacetonitriles were synthesized by the palladium-catalyzed carbonylation of aryl iodides and trimethylsilylacetonitrile using Mo(CO)as a carbon monoxide source. Pd(PPhCland CuFwere employed as the catalyst and activator, respectively. A variety of aryl iodides bearing alkyl, alkoxy, fluoro, chloro, bromo, nitrile, ester, and ketone groups afforded the corresponding benzoylacetonitriles in moderate to good yields. Georg Thieme Verlag Stuttgart ? New York.

THIOPHENES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE (PI3K) INHIBITORS

This invention provides thiophene compounds of formula (I) : wherein R1, R2, R3, R4, n, p, and m are as described in the specification. The compounds are inhibitors of PI3K and are thus useful for treating proliferative, inflammatory, or cardiovascular disorders.