117572-79-9

Basic information

• Product Name: 3-Bromo-4-methoxybenzonitrile
• Synonyms: AKOS B004290;3-BROMO-4-METHOXYBENZONITRILE;3-BROMO-4-METHOXYBENZOTRIFLUORIDE;2-METHOXY-5-(TRIFLUOROMETHYL)BROMOBENZENE;BUTTPARK 87\07-61;3-Bromo-p-anisyl cyanide;2-Bromo-4-(trifluoromethyl)anisole;2-Bromo-4-cyanoanisole
• CAS NO: 117572-79-9
• Molecular Formula: C₈H₆BrNO
• Molecular Weight: 212.04
• EINECS: -0
• Product Categories: Aromatic Nitriles;Nitrile;Anisoles, Alkyloxy Compounds & Phenylacetates;Bromine Compounds;Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 117572-79-9.mol
• Article Data: 11

Chemical Properties

• Melting Point: 122-124 °C(lit.)
• Boiling Point: 282.8 °C at 760 mmHg
• Flash Point: 124.9 °C
• Appearance: /
• Density: 1.56 g/cm³
• Vapor Pressure: 0.00328mmHg at 25°C
• Refractive Index: 1.584
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility: Soluble in methanol.
• BRN: 3246576
• CAS DataBase Reference: 3-Bromo-4-methoxybenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3-Bromo-4-methoxybenzonitrile(117572-79-9)
• EPA Substance Registry System: 3-Bromo-4-methoxybenzonitrile(117572-79-9)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38-52
• Safety Statements: 26-36
• RIDADR: 3439
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 117572-79-9(Hazardous Substances Data)

Usage

Description

3-Bromo-4-methoxybenzonitrile is an organic compound characterized by its off-white powder form. It is a derivative of benzonitrile, featuring a bromine atom at the 3rd position and a methoxy group at the 4th position of the benzene ring. 3-Bromo-4-methoxybenzonitrile is known for its potential applications in the chemical and pharmaceutical industries due to its unique structural properties.

Uses

Used in Chemical Synthesis:
3-Bromo-4-methoxybenzonitrile is utilized as a key intermediate in the synthesis of various organic compounds, particularly in the preparation of 3-bromo-2-iodo-4-methoxy-benzonitrile. This synthesized compound can further be used in the development of other complex molecules with specific applications.
Used in Pharmaceutical Industry:
In the pharmaceutical sector, 3-Bromo-4-methoxybenzonitrile serves as an essential intermediate for the production of different pharmaceutical compounds. Its unique structure allows for the creation of new drugs with potential therapeutic properties, contributing to the advancement of medicinal chemistry.
Used in Research and Development:
3-Bromo-4-methoxybenzonitrile is also employed in research and development laboratories for studying its chemical properties and potential applications. Scientists and researchers use this compound to explore new reaction pathways and develop innovative methods for synthesizing other valuable chemicals and pharmaceuticals.

InChI:InChI=1/C8H6BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,1H3

Upstream product

• 2315-86-8 3-bromo-4-hydroxybenzonitrile 
• 74-88-4 methyl iodide 
• 874-90-8 4-methoxybenzonitrile 
• 34039-30-0 2-bromo-1-methoxy-4-vinylbenzene 
• 22002-45-5 2-bromo-4-methylanisole 
• 104-93-8 p-methylanizole 
• 137042-67-2 3-bromo-4-methoxybenzonitrile 
• 1428637-03-9 C₁₀H₁₃ClN₂O 
• 34841-06-0 3-bromo-4-methoxybenzylaldehyde 
• 5197-28-4 2-bromo-4-nitroanisole 
• 143-33-9 sodium cyanide 
• 108-24-7 acetic anhydride 

Downstream Products

• 191602-76-3 5-(3-bromo-4-methoxy-phenyl)-2H-tetrazole 
• 612833-37-1 (5-cyano-2-methoxyphenyl)boronic acid 
• 389891-29-6 3'-cyano-6'-methoxycinnamic acid 
• 914105-93-4 5-(5-cyano-2-methoxyphenyl)-3-(3-cyanophenyl)isoxazole 
• 914106-24-4 3,5-bis(5-cyano-2-methoxyphenyl)isoxazole 
• 914106-21-1 3-(4-cyano-2-methoxyphenyl)-5-(5-cyano-2-methoxyphenyl)isoxazole 
• 914106-20-0 3-(4-cyano-2-nitrophenyl)-5-(5-cyano-2-methoxyphenyl)isoxazole 
• 204919-70-0 3-ethynyl-4-methoxybenzonitrile 
• 914106-30-2 4-methoxy-4-[2-(trimethylsilyl)ethynyl]benzonitrile 

Relevant articles and documents

ALANINE-BASED MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE

The description relates to inhibitors of Apoptosis Proteins (TAPs) binding compounds, including Afunctional compounds comprising the same, which find utility as modulators of targeted ubiquitination, especially inhibitors of a variety of polypeptides and other proteins which are degraded and/or otherwise inhibited by bifunctional compounds according to the present invention. In particular, the description provides compounds, which contain on one end a ligand which binds to the IAP E3 ubiquitin ligase and on the other end a moiety which binds a target protein such that the target protein is placed in proximity to the ubiquitin ligase to effect degradation (and inhibition) of that protein. Compounds can be synthesized that exhibit a broad range of pharmacological activities consistent with the degradation/inhibition of targeted polypeptides of nearly any type.

One-pot transformation of methylarenes into aromatic nitriles with inorganic metal-free reagents

Various methylarenes were transformed into the corresponding aromatic nitriles in good to moderate yields by the treatment with aq. HBr and aq. H 2O2, followed by reaction with molecular iodine and aq. ammonia in a one-pot procedure. The present reaction is a useful, practical, transition-metal-free, and organic-reagent-free method for the preparation of aromatic nitriles from methylarenes. Various methylarenes were treated with aq. HBr and aq. H2O2 under warming conditions and/or irradiation conditions, followed by the reaction with molecular iodine and aq. ammonia, to provide the corresponding aromatic nitriles, in a one-pot procedure. The present reaction was carried out under metal-free and organic-reagent-free conditions. Copyright

Ruthenium-catalyzed intramolecular selective halogenation of O-methylbenzohydroximoyl halides: A new route to halogenated aromatic nitriles

The intramolecular halogenation of O-methylbenzohydroximoyl halides in the presence of a Ru catalyst and the ligand diphenylacetylene afforded halo substituted aromatic nitriles in a highly regioselective manner. Further, substituted nitriles were converted into substituted tetrazole derivatives in the presence of NaN3 and I2.