871116-91-5

Usage

Uses

Used in Pharmaceutical Industry:
2-(3-bromo-5-methylphenyl)acetonitrile is used as a reagent and intermediate for the production of pharmaceuticals. It plays a crucial role in the synthesis of various biologically active compounds, contributing to the development of new drugs and therapeutic agents.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(3-bromo-5-methylphenyl)acetonitrile is utilized as a reagent and intermediate for the production of agrochemicals. Its application aids in the development of effective pesticides, herbicides, and other agricultural chemicals to enhance crop protection and yield.
Used in Organic Synthesis:
2-(3-bromo-5-methylphenyl)acetonitrile is used as a key intermediate in organic synthesis for the creation of fine chemicals. Its unique structure and properties make it a valuable component in the synthesis of specialty chemicals used across various industries.
Used in Research and Development:
2-(3-bromo-5-methylphenyl)acetonitrile is commonly used in research and development within the chemical and pharmaceutical industries. Its application in these fields facilitates the exploration of new chemical reactions, the discovery of novel compounds, and the advancement of scientific knowledge.

Upstream product

• 1611-92-3 3,5-dibromotoluene 
• 105-34-0 methyl 2-cyanoacetate 
• 51719-69-8 1-bromo-3-(bromomethyl)-5-methylbenzene 
• 556-96-7 5-bromo-1,3-xylene 
• 773837-37-9 sodium cyanide 
• 143-33-9 sodium cyanide 
• 151-50-8 potassium cyanide 

Downstream Products

• 120512-41-6 2-(3-bromo-5-methylphenyl)-2-methylpropionitrile 
• 1006300-03-3 6-(3-bromo-5-methylbenzoyl)-5-isopropylpyrimidine-2,4(1H,3H)-dione 
• 1372409-19-2 C₁₉H₂₂BrN 
• 1372409-14-7 C₁₉H₂₂BrN 
• 1372409-18-1 C₁₉H₂₂BrN 
• 1372409-13-6 C₁₉H₂₂BrN 
• 1160499-23-9 C₁₈H₁₈N₄ 
• 1160500-07-1 2-methyl-2-(3-methyl-5-(1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)butan-1-amine 
• 1161361-97-2 2-(3-bromo-5-methylphenyl)propanenitrile 
• 51719-66-5 3-bromo-5-methylphenylacetic acid 

Relevant academic research and scientific papers

Synthesis 2 - (3 - bromo -5 - methylphenyl) acetonitrile

The invention relates to a preparation method 2 - (3 - bromo -5 - methylphenyl) acetonitrile. In particular 3, 5 - dibromotoluene is reacted with nitrilecacetic acid ester under the action of a copper reagent/base/additive/solvent -1, followed by solvent

NITROGEN-CONTAINING 6-MEMBERED CYCLIC COMPOUND

A novel compound represented by the following general formula (1), or a salt thereof, which has a superior EP4 receptor agonist activity, and a medicament containing the compound or a salt thereof as an active ingredient, which can be used for promotion of osteogenesis, therapeutic treatment and/or promotion of healing of fracture and the like.

Discovery of selective, orally bioavailable pyrazolopyridine inhibitors of protein kinase cθ (pkcθ) that ameliorate symptoms of experimental autoimmune encephalomyelitis

PKCθ plays an important role in T cell biology and is a validated target for a number of disease states. A series of potent and selective PKCθ inhibitors were designed and synthesized starting from a HTS hit compound. Cell activity, while initially a challenge to achieve, was built into the series by transforming the nitrile unit of the scaffold into a primary amine, the latter predicted to form a new hydrogen bond to Asp508 near the entrance of the ATP binding site of PKCθ. Significant improvements in physiochemical parameters were observed on introduction of an oxetane group proximal to a primary amine leading to compound 22, which demonstrated a reduction of symptoms in a mouse model of multiple sclerosis.

PYRIMIDONE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF A VIRAL DISEASE

The present invention relates to a compound having the general formula (I), optionally in the form of a pharmaceutically acceptable salt, solvate, polymorph, codrug, cocrystal, prodrug, tautomer, racemate, enantiomer, or diastereomer or mixture thereof, (

Regioisomerism in the synthesis of a chiral aminotetralin drug compound: Unraveling mechanistic details and diastereomer-specific in-depth NMR investigations

During chemical process development of a novel 2-aminotetralin derivative intended for use as an antidepressant, scrutiny of the byproduct present in the drug molecule revealed a set of regioisomers. Detailed studies showed that this impurity issue origin

NOVEL HIV REVERSE TRANSCRIPTASE INHIBITORS

The invention is related to compounds of Formula (I) or a pharmaceutically acceptable salt, solvate, ester, and/ or phosphonate thereof, compositions containing such compounds, and therapeutic methods that include the administration of such compounds.

PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS

Compounds of Formula (I): can be prepared by a multi-step process from compounds of Formula (II): wherein G is Cl, Br or I.

Novel HIV reverse transcriptase inhibitors

The invention is related to compounds of Formula (I), (II), or (III): or a pharmaceutically acceptable salt, solvate, ester, and/or phosphonate thereof, compositions containing such compounds, and therapeutic methods that include the administration of such compounds.

Dual aromatase-sulfatase inhibitors based on the anastrozole template: Synthesis, in vitro SAR, molecular modelling and in vivo activity

The synthesis and biological evaluation of a series of novel Dual Aromatase-Sulfatase Inhibitors (DASIs) are described. It is postulated that dual inhibition of the aromatase and steroid sulfatase enzymes, both responsible for the biosynthesis of oestrogens, will be beneficial in the treatment of hormone-dependent breast cancer. The compounds are based upon the Anastrozole aromatase inhibitor template which, while maintaining the haem ligating triazole moiety crucial for enzyme inhibition, was modified to include a phenol sulfamate ester motif, the pharmacophore for potent irreversible steroid sulfatase inhibition. Adaption of a synthetic route to Anastrozole was accomplished via selective radical bromination and substitution reactions to furnish a series of inhibitory aromatase pharmacophores. Linking these fragments to the phenol sulfamate ester moiety employed SN2, Heck and Mitsunobu reactions with phenolic precursors, from where the completed DASIs were achieved via sulfamoylation. In vitro, the lead compound, 11, had a high degree of potency against aromatase (IC50 3.5 nM), comparable with that of Anastrozole (IC50 1.5 nM) whereas, only moderate activity against steroid sulfatase was found. However, in vivo, 11 surprisingly exhibited potent dual inhibition. Compound 11 was modelled into the active site of a homology model of human aromatase and the X-ray crystal structure of steroid sulfatase. This journal is The Royal Society of Chemistry.

1,2,4-TRIAZOL-l-YL BISPHENYL DERIVATIVES FOR USE IN THE TREATMENT OF ENDOCRINE-DEPENDENT TUMOURS

There is provided a compound of Formula I wherein R3, R4, R5, R6 and R7 are independently selected from H and -Y-R6; wherein each R8 is independently selected from -OH, hydrocarbyl groups, oxyhydrocarbyl groups, cyano (-CN), nitro (-NO2), H-bond acceptors, and halogens; wherein at Jeast one of R3, R4, R5, R6 and R7 is -Y-R8 wherein R8 is selected from substituted and unsubstituted ? heterocyclic rings and amino substituted phenyl groups, wherein X is a bond or a linker group; wherein Y is an optional linker group; and wherein ring A is optionally further , substituted; wherein R9 is selected from H, -OH and -OSO2NR1R2; wherein R1 and R2 are independently selected from H and hydrocarbyl; wherein (a) X is a bond and at least one of R3, R4, R5, R6 and R7 is -Y-R8; OR (b) R9 is -OSO2NR1R2 or - OH and four of R3, R4, R5, R6 and R7 are H and one of R3, R4, R5, R6 and R7 is -Y-R8. These compounds inhibit steroid sulphatase and aronatase activity and are useful in the treatment of endocrine-dependent tumours.