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

Chemical Properties

Off-white powder

Uses

3-Bromo-4-methoxybenzonitrile is used to prepare 3-bromo-2-iodo-4-methoxy-benzonitrile. It is also used as pharmaceutical intermediates.

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

Upstream product

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

Downstream Products

• 191602-76-3 5-(3-bromo-4-methoxy-phenyl)-2H-tetrazole 
• 247254-47-3 {[3-bromo-4-(methyloxy)phenyl]methyl}amine 
• 84923-71-7 5-cyano-2-methoxybenzoic 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 

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.

NBS mediated nitriles synthesis through CC double bond cleavage

An NBS mediated nitriles synthesis through CC double bond cleavage has been developed. TMSN3 was employed as the nitrogen source for this Cu(OAc)2 promoted nitrogenation reaction. This transformation has a relatively high regio-selectivity to form aromatic nitriles.

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.