876918-26-2

Basic information

• Product Name: 5-bromo-2-isobutoxy benzonitirle
• Synonyms: 5-bromo-2-isobutoxy benzonitirle
• CAS NO: 876918-26-2
• Molecular Formula: C₁₁H₁₂BrNO
• Molecular Weight: 254.13
• Mol File: 876918-26-2.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 5-bromo-2-isobutoxy benzonitirle(CAS DataBase Reference)
• NIST Chemistry Reference: 5-bromo-2-isobutoxy benzonitirle(876918-26-2)
• EPA Substance Registry System: 5-bromo-2-isobutoxy benzonitirle(876918-26-2)

Safety Data

• Hazardous Substances Data: 876918-26-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Industry:
5-bromo-2-isobutoxy benzonitrile is used as a synthetic intermediate for the development of various pharmaceutical compounds. Its unique structure and reactivity allow for the creation of new drugs with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 5-bromo-2-isobutoxy benzonitrile is employed as a key component in the synthesis of pesticides and other agrochemical products. Its versatility in organic synthesis contributes to the development of effective and targeted agrochemicals for crop protection and management.
Used in Organic Synthesis:
5-bromo-2-isobutoxy benzonitrile is utilized as a versatile building block in organic synthesis. Its reactivity and the presence of a bromine atom make it a valuable precursor for the formation of more complex chemical structures, which can be further modified for various applications in different industries.
Used in the Creation of Biologically Active Molecules:
Due to its structural features, 5-bromo-2-isobutoxy benzonitrile is used in the synthesis of biologically active molecules. These molecules can possess properties such as antimicrobial, antiviral, or anti-inflammatory effects, which can be harnessed for medical or other applications.
Overall, 5-bromo-2-isobutoxy benzonitrile's diverse applications across different industries highlight its importance and utility in the field of organic chemistry.

Upstream product

• 78-77-3 Isobutyl bromide 
• 40530-18-5 5-bromo-2-hydroxybenzonitrile 
• 2042-37-7 o-cyanobromobenzene 
• 106-41-2 4-bromo-phenol 
• 4885-02-3 Dichloromethyl methyl ether 
• 30752-23-9 4-bromophenyl iso-butyl ether 
• 184970-28-3 4-bromo-2-(bromomethyl)-1-methoxybenzene 
• 14804-31-0 2-methyl-4-bromoanisole 
• 144649-99-0 5-bromo-2-methoxybenzonitrile 
• 513-38-2 Isobutyl iodide 
• 78-83-1 2-methyl-propan-1-ol 
• 179897-89-3 5-Bromo-2-fluoro-benzonitrile 
• 222315-01-7 5-bromo-2-isobutoxybenzaldehyde 

Downstream Products

• 876918-32-0 (3-cyano-4-isobutoxyphenyl)boronic acid 
• 144060-53-7 febuxostat 
• 160844-75-7 2-(3-cyano-4-isobutyloxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester 
• 206884-89-1 ethyl 1-(3'-cyano-4'-isobutoxyphenyl)-pyrazol-4-carboxylate 
• 1139901-87-3 5-iodo-2-isobutoxy-benzonitrile 
• 1562039-91-1 2-iso-butoxy-5-formylbenzonitrile 
• 1574394-62-9 C₁₇H₁₇N₅O₂ 
• 1574394-61-8 5-(2-amino-5-chloro-6-oxo-1,6-dihydropyrimidin-4-yl)2-isobutoxybenzonitrile 
• 1574394-60-7 2-amino-4-(3-cyano-4-isobutoxyphenyl)-6-oxo-1,6-dihydropyrimidine-5-carbonitrile 
• 1415309-89-5 5-(2-amino-6-oxo-1,6-dihydropyrimidin-4-yl)-2-isobutoxybenzonitrile 
• 1352943-58-8 2-isobutoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile 
• 1139901-88-4 tert-butyl 2-(3’-cyano-4’-isobutoxyphenyl)-4-methylthiazole-5-carboxylate 
• 1240593-43-4 C₂₂H₂₄N₂O₂ 
• 1240593-44-5 C₁₈H₂₄N₂O₄S₂ 

Relevant articles and documents

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A method for preparing [...]

The invention discloses a method for preparing [...], relates to a pharmaceutical technical field of chemical synthesis, comprising the following steps: to adjacent bromobenzylcyanide as raw materials with the isobutyl alcohol in the etherification reaction under alkaline conditions, to obtain 2 - [...]; to hydrogen peroxide/hydrogen bromic acid system for the oxidation of bromide, 2 - [...] oxidation bromination reaction, to obtain 2 - isobuoxy - 5 - bromobenzylcyanide; the 2 - isobuoxy - 5 - bromobenzylcyanide with 2 - boric acid - 4 - methyl - 1, 3 - thiazole - 5 - carboxylic acid ethyl ester in Suziki coupling reaction, to obtain 2 - [3 - cyano - 4 - isobuoxy phenyl] - 4 - methyl thiazole - 5 - carboxylic acid ethyl ester; the 2 - [3 - cyano - 4 - isobuoxy phenyl] - 4 - methyl thiazole - 5 - carboxylic acid ethyl ester under basic condition to obtain [...]. The invention routes and novel and short synthetic route, requires only four-step reaction can be to obtain the target product, used in the preparation raw materials are cheap and easy to obtain, environmental protection, mild reaction conditions, the operation is convenient and controllable, the prepared [...] high purity, high yield.

Phenylimidazole XOR (Xanthine Oxidoreductase) inhibitor and preparation and application thereof

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Synthesis and bioevaluation of 1-phenyl-pyrazole-4-carboxylic acid derivatives as potent xanthine oxidoreductase inhibitors

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Facile one-pot transformation of arenes into aromatic nitriles under metal-cyanide-free conditions

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Facile one-pot transformation of phenols into o-cyanophenols

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HTS followed by NMR based counterscreening. Discovery and optimization of pyrimidones as reversible and competitive inhibitors of xanthine oxidase

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Direct oxidative conversion of methylarenes into aromatic nitriles

A variety of methylarenes were successfully converted into the corresponding aromatic nitriles in good to moderate yields by the treatment with NBS or DBDMH in the presence of a catalytic amount of AIBN or BPO, followed by the reaction with molecular iodine in aq NH3 in a one-pot procedure. The present reaction is a useful and practical transition-metal-free method for the preparation of aromatic nitriles from methylarenes.

METHOD FOR PRODUCING PHENYL-SUBSTITUTED HETEROCYCLIC DERIVATIVE BY MEANS OF COUPLING METHOD USING PALLADIUM COMPOUND

The present invention provides a method for producing a xanthine oxidase inhibitor, which is a therapeutic agent for hyperuricemia, or intermediates of the same, said method being efficient and using a short process. The present invention is a novel coupling method for obtaining a compound represented by formula (3) by bringing about a coupling reaction between a compound represented by formula (1) and a compound represented by formula (2), in the presence of a palladium compound, a ligand capable of coordinating to the palladium compound, a base, a C1-C40 carboxylic acid, and at least one kind of additive.