19179-31-8

Basic information

• Product Name: 3,5-Dimethoxybenzonitrile
• Synonyms: TIMTEC-BB SBB008557;3,5-dimethoxy-benzonitril;3,5-DIMETHOXYBENZONITRILE;3,5-DIMETHOXYBENZONITRILE / 3,5-DIMETHOXYLPHENYL CYANIDE;3,5-Dimethoxybenzonitrile,97%;3,5-Dimethoxybenzoni;3,5-diMethoxybenzene nitrile;1-Cyano-3,5-dimethoxybenzene
• CAS NO: 19179-31-8
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.17
• EINECS: 242-858-0
• Product Categories: Aromatic Nitriles;Nitriles;Anisoles, Alkyloxy Compounds & Phenylacetates;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds;Building Blocks;C8 to C9;Chemical Synthesis;Nitrogen Compounds;Organic Building Blocks
• Mol File: 19179-31-8.mol
• Article Data: 47

Chemical Properties

• Melting Point: 87-89 °C(lit.)
• Boiling Point: 290.25°C (rough estimate)
• Flash Point: 104.9 °C
• Appearance: white to beige or grey crystalline powder
• Density: 1.2021 (rough estimate)
• Vapor Pressure: 0.0116mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• CAS DataBase Reference: 3,5-Dimethoxybenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Dimethoxybenzonitrile(19179-31-8)
• EPA Substance Registry System: 3,5-Dimethoxybenzonitrile(19179-31-8)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37
• RIDADR: 3276
• WGK Germany: 3
• RTECS: DI4355800
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 19179-31-8(Hazardous Substances Data)

Usage

Chemical Properties

white to beige or grey crystalline powder

InChI:InChI=1/C9H9NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,1-2H3

Upstream product

• 7311-34-4 3,5-dimethoxybenzaldehdye 
• 68-12-2 N,N-dimethyl-formamide 
• 192182-54-0 3,5-dimethoxyphenylboronic acid 
• 365564-07-4 3,5-dimethoxyphenylboronic acid pinacol ester 
• 75-05-8 acetonitrile 
• 557-21-1 zinc(II) cyanide 
• 7051-16-3 1-chloro-3,5-dimethoxybenzene 
• 171290-52-1 1-Ethynyl-3,5-dimethoxy-benzene 
• 151-10-0 1,3-Dimethoxybenzene 
• 55305-43-6 N-cyano-N-phenyl-p-toluenesulfonamide 
• 17213-58-0 3,5-dimethoxybenzamide 
• 17213-57-9 3,5-dimethoxybenzoyl chloride 
• 1132-21-4 3,5-dimethoxybenzoic acid 
• 2570-45-8 3,5-dimethoxy-1-(methylsulfanyl)benzene 

Downstream Products

• 156215-41-7 2-(3,5-dimethoxyphenyl)benzo[d]thiazole 
• 17213-58-0 3,5-dimethoxybenzamide 
• 68090-04-0 3,5-dimethoxyphenyl-3,5-selenocarboxamide 
• 5333-29-9 1-(3,5-dimethoxy-phenyl)-pentan-1-one 
• 22168-70-3 cyclohexyl-(3,5-dimethoxy-phenyl)-methanone 
• 623559-89-7 cycloheptyl-(3,5-dimethoxy-phenyl)-methanone 
• 623559-88-6 cyclopentyl-(3,5-dimethoxy-phenyl)-methanone 
• 124993-53-9 3-hydroxy-5-methoxybenzonitrile 
• 116496-27-6 3,4,3',5'-tetramethoxy-benzophenone 
• 58545-33-8 1-(3,5-dimethoxyphenyl)-5-phenoxypentane 
• 215649-01-7 3,5-dimethoxy-1-(2-methyl-6-phenoxyhexan-2-yl)benzene 
• 19179-36-3 3,5-dihydroxycyanobenzene 
• 1591828-92-0 3-hydroxy-5-((1-(4-methoxybenzyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 
• 1591828-94-2 3-(difluoromethoxy)-5-((1-(4-methoxybenzyl)-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-5-yl)oxy)benzonitrile 

Relevant articles and documents

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Method for dehydrating primary amide into nitriles under catalysis of cobalt

The invention provides a method for dehydrating primary amide into nitrile. The method comprises the following steps: mixing primary amide (II), silane, sodium triethylborohydride, aminopyridine imine tridentate nitrogen ligand cobalt complex (I) and a reaction solvent under the protection of inert gas, carrying out reacting at 60-100 DEG C for 6-24 hours, and post-treating reaction liquid to obtain a nitrile compound (III). According to the invention, an effective method for preparing nitrile compounds by cobalt-catalyzed primary amide dehydration reaction by using the novel aminopyridine imine tridentate nitrogen ligand cobalt complex catalyst is provided; and compared with existing methods, the method has the advantages of simple operation, mild reaction conditions, wide application range of reaction substrates, high selectivity, stable catalyst, high efficiency, and relatively high practical application value in synthesis.

Nickel-Catalyzed Reversible Functional Group Metathesis between Aryl Nitriles and Aryl Thioethers

We describe a new functional group metathesis between aryl nitriles and aryl thioethers. The catalytic system nickel/dcype is essential to achieve this fully reversible transformation in good to excellent yields. Furthermore, the cyanide- and thiol-free reaction shows high functional group tolerance and great efficiency for the late-stage derivatization of commercial molecules. Finally, synthetic applications demonstrate its versatility and utility in multistep synthesis.