942598-44-9

Usage

Uses

Used in Chemical Synthesis:
Methyl 3-bromo-4-cyanobenzoate is used as a reactant in the palladium-catalyzed highly selective ortho-halogenation of arylnitriles. This application is significant in the field of organic chemistry, as it allows for the synthesis of complex organic molecules with high selectivity and efficiency. The palladium-catalyzed process is a valuable tool for chemists, enabling the construction of specific molecular structures that are otherwise difficult to achieve.
In the pharmaceutical industry, Methyl 3-bromo-4-cyanobenzoate can be used as a building block or intermediate in the synthesis of various pharmaceutical compounds. Its unique structure and reactivity make it a valuable component in the development of new drugs with specific therapeutic properties.
Additionally, Methyl 3-bromo-4-cyanobenzoate may find applications in the agrochemical industry, where it can be used as a precursor in the synthesis of pesticides or other agrochemical products. Its ability to participate in palladium-catalyzed reactions can facilitate the creation of new molecules with potential pesticidal or herbicidal activity.
In the field of materials science, Methyl 3-bromo-4-cyanobenzoate could be utilized in the development of novel polymers or other materials with specific properties. Its structural features may contribute to the formation of materials with unique characteristics, such as improved thermal stability, mechanical strength, or other desirable attributes.
Overall, Methyl 3-bromo-4-cyanobenzoate is a versatile organic compound with a range of potential applications across various industries, including pharmaceuticals, agrochemicals, and materials science. Its unique structure and reactivity make it a valuable component in the synthesis of complex organic molecules and the development of new products with specific properties and functions.

Upstream product

• 1129-35-7 4-cyanobenzoic acid methyl ester 
• 773837-37-9 sodium cyanide 
• 106896-49-5 methyl 4-amino-3-bromobenzoate 
• 143-33-9 sodium cyanide 
• 544-92-3 copper(I) cyanide 

Downstream Products

• 1254162-93-0 6-cyano-2'-methoxy-biphenyl-3-carboxylic acid methyl ester 
• 89891-70-3 2-bromo-4-formylbenzonitrile 
• 1008520-02-2 2-(Tetrahydro-pyran-4-ylamino)-4-(1,5,5-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazol-3-yl)-benzamide 
• 1008520-00-0 2-(Tetrahydro-pyran-4-ylamino)-4-(1,5,5-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazol-3-yl)-benzonitrile 
• 1008519-98-9 2-Bromo-4-(1,5,5-trimethyl-7-oxo-4,5,6,7-tetrahydro-1H-indazol-3-yl)-benzonitrile 
• 1008520-70-4 2-Bromo-4-(3-methoxy-5,5-dimethyl-2-oxo-cyclohex-3-enecarbonyl)-benzonitrile 
• 1017908-33-6 3-Bromo-4-cyano-benzoyl chloride 
• 1149388-50-0 methyl 3-bromo-4-(aminocarbonyl)benzoate 
• 58123-69-6 3-bromo-4-cyanobenzoic acid 

Relevant academic research and scientific papers

Palladium-catalyzed highly selective ortho-halogenation (I, Br, Cl) of arylnitriles via sp2 C-H bond activation using cyano as directing group

A palladium-catalyzed ortho-halogenation (I, Br, Cl) of arylnitrile is described. The optimal reaction conditions were identified after examining various factors such as catalyst, additive, solvent, and reaction temperature. Using cyano as the directing group, the halogenation reaction gave good to excellent yields. The method is compatible to the arylnitriles with either electron-withdrawing or electron-donating groups. The reaction is available to the substrate in at least gram scale. The present method was successfully applied to the synthesis of the precursors of paucifloral F and isopaucifloral F.

IMIDAZOLE DERIVATIVES AND THEIR USE AS MODULATORS OF CYCLIN DEPENDENT KINASES

The invention provides compounds of the formula (I): and salts, tautomers, solvates and N-oxides thereof; wherein Q is CH or N; X is N, N+-O- or CR3; Y is N, N+-O- or CR3a; R1 and R2 are independently selected from hydrogen and various substituents as defined in the claims; or R1 and R2 together with the atoms to which they are attached, link to form an optionally substituted carbocyclic or heterocyclic aromatic or non-aromatic ring of 4 to 7 members; R3 is selected from hydrogen and various substituents; and R3a is selected from hydrogen and various substituents as defined in the claims. Also provided are pharmaceutical compositions containing the compounds of formula (I), processes for making the compounds and the medical uses of the compounds. The compounds of formula (I) have activity as inhibitors of CDK kinases and are useful in the treatment of inter alia proliferative diseases such as cancers.

1,2,4-oxadiazole derivatives and their therapeutic use

New derivatives of general formula (I), or pharmaceutically acceptable salts or N-oxides thereof wherein, A is selected from the group consisting of -N-, -O- and -S-; B and C are independently selected from the group consisting of-N- and -O-, with the proviso that at least two of A, B and C are nitrogen atoms; G1 is selected from the group consisting of -CH2-, -NH- and -O-; G2 is selected from the group consisting of -NR4- and -O-; R1 represents: ? a 8 to 10 membered bicyclic N-containing heteroaryl group optionally substituted with a C1-4 carboxyalkyl group or a C1-4 aminoalkyl group, ? a pyridyl group optionally substituted with one or more substituents selected from hydroxy groups, C1-4 alkyl groups, C1-4 carboxyalkyl groups, C1-4 haloalkyl groups, C1-4 alkoxy groups, amino groups, C1-4 aminoalkyl groups and C1-4 aminoalkoxy groups, ? a pyridone group substituted with one or more C1-4 alkyl groups; C1-4 haloalkyl groups or C1-4 aminoalkyl groups, or ? a group of formula: wherein: ? Ra represents a hydrogen atom, a halogen atom, a C1-4 alkyl group, C3-4 cycloalkyl group or a -CF3 group; ? Rb represents a hydrogen atom, a halogen atom, a C14 alkyl group, a -CF3 group or a C1-4 alkoxy group; ? Rd represents a hydrogen atom, a C1-4 alkyl group or a C1-4 alkoxy group; ? Rc represents: ○ a hydrogen atom, a C1-4 hydroxyalkyl group, a C1-4 aminoalkyl group which is optionally substituted with one or more substituents selected from halogen atoms, hydroxy groups and -CF3 groups; ○ a 4 to 6-membered saturated N-containing heterocyclic ring optionally substituted with a C1-2 carboxyalkyl group; ○ -(CH2)(0-4)-C(O)OR', -(CH2)(0-4)-C(O)NR'R", -(CH2)(0-4)-NHC(O)R", -S(O)2NR'R", -O-(CH2)(2-4)NR'R", -O-(CH2)(1-4)C(O)OR", -O-(CH2)(1-4)-C(O)NR'R", -(CH2)(0-4)-NR'R", -(CH2)(0-4)-CONHS(O)2R', -(CH2)(0-4)-NHS(O)2R' or -(CH2)(0-3)-N H-(CH2)(1-3)-(NH)(0-1)S(O)2R' wherein, ■ R' represents a hydrogen atom or a C1-4 alkyl group, ■ R" represents a hydrogen atom, a C1-4 alkyl group, a C3-4 cycloalkyl group, a C1-4 carboxyalkyl group, a C1-4 haloalkyl group, a C1-4 hydroxyalkyl group or a 6 membered, saturated N-containing heterocyclic ring, or ■ R' and R" together with the nitrogen atom to which they are attached from a 4 to 6 membered heterocyclic group which contains, as heteroatoms, one N atom and, optionally, one further atom selected from N and O, and which is optionally substituted with a carboxy or a C1-4 carboxyalkyl group, or Rc together with Rd form a C5-6 cycloalkyl group optionally substituted by a -NHRf group, wherein Rf is selected from the group consisting of a hydrogen atom and a carboxymethyl group; R2 and R3 are independently selected from the group consisting of hydrogen atoms, halogen atoms and C1-4 alkyl groups; and R4 is selected from the group consisting of a hydrogen atom, a phenyl group, a C3-4 cycloalkyl-C1-4 alkyl group, C1-4 aminoalkyl group, C1-4 haloalkyl group and a linear or branched C1-4 alkyl group which is optionally substituted by a phenyl or a pyridyl group.

Benzene, Pyridine, and Pyridazine Derivatives

Disclosed are compounds and pharmaceutically acceptable salts of Formula I wherein A, Q1, Q2, Q3, R31, and R41 are as defined herein. Compounds of Formula I are useful in the treatment of diseases and