4107-65-7

Basic information

• Product Name: 2,4-Dimethoxybenzonitrile
• Synonyms: 2,4-DIMETHOXYBENZONITRILE;Benzonitrile, 2,4-dimethoxy-;2,4-Dimethoxybenzonitrile,99%;2,4-Dimethoxybenzoni;2,4 methoxybenzonitrile
• CAS NO: 4107-65-7
• Molecular Formula: C₉H₉NO₂
• Molecular Weight: 163.17
• EINECS: 223-886-2
• Product Categories: Aromatic Nitriles;C8 to C9;Cyanides/Nitriles;Nitrogen Compounds
• Mol File: 4107-65-7.mol
• Article Data: 83

Chemical Properties

• Melting Point: 93-94 °C(lit.)
• Boiling Point: 290.25°C (rough estimate)
• Flash Point: 128.8 °C
• Appearance: White to slightly yellow/Crystalline Powder
• Density: 1.2021 (rough estimate)
• Vapor Pressure: 0.000758mmHg at 25°C
• Refractive Index: 1.5300 (estimate)
• Storage Temp.: Sealed in dry,Room Temperature
• BRN: 1950512
• CAS DataBase Reference: 2,4-Dimethoxybenzonitrile(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Dimethoxybenzonitrile(4107-65-7)
• EPA Substance Registry System: 2,4-Dimethoxybenzonitrile(4107-65-7)

Safety Data

• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36-36/37
• RIDADR: 3276
• WGK Germany: 3
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 4107-65-7(Hazardous Substances Data)

Usage

Description

2,4-Dimethoxybenzonitrile is a white to slightly yellow crystalline powder that is a chemical compound with the molecular formula C9H7NO2. It is characterized by the presence of two methoxy groups (-OCH3) at the 2nd and 4th positions of a benzene ring, and a nitrile group (-CN) attached to the same ring.

Uses

Used in Pharmaceutical Industry:
2,4-Dimethoxybenzonitrile is used as an intermediate in the synthesis of various pharmaceutical compounds. Its chemical structure allows for further functionalization and modification, making it a versatile building block for the development of new drugs.
Used in Chemical Synthesis:
2,4-Dimethoxybenzonitrile is used as a starting material for the preparation of other organic compounds, such as 2,4-dimethoxybenzylamine, which can be further utilized in the synthesis of various chemical products. Its unique functional groups enable it to serve as a key component in the creation of a wide range of molecules with different applications.
Used in Research and Development:
Due to its unique chemical properties, 2,4-Dimethoxybenzonitrile is also used in research and development for the exploration of new chemical reactions and the synthesis of novel compounds. It can be employed in academic and industrial laboratories to study the reactivity of its functional groups and to develop new synthetic routes for the production of various chemical products.

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

Upstream product

• 39835-11-5 2-hydroxy-4 methoxybenzonitrile 
• 77-78-1 dimethyl sulfate 
• 151-50-8 potassium cyanide 
• 151-10-0 1,3-Dimethoxybenzene 
• 75-15-0 carbon disulfide 
• 7446-70-0 aluminium trichloride 
• 506-68-3 bromocyane 
• 31874-34-7 2,4-dimethoxybenzaldoxime 
• 931-97-5 1-hydroxy-1-cyclohexanecarbonitrile 
• 91-52-1 2,4 dimethoxybenzoic acid 
• 20469-63-0 1-iodo-2,4-dimethoxybenzene 
• 135-77-3 1,2,4-trimethoxy-benzene 
• 64-17-5 ethanol 
• 13523-12-1 1-bromo-2,5-dimethoxy-3-methylbenzene 

Downstream Products

• 91-52-1 2,4 dimethoxybenzoic acid 
• 2571-54-2 2,4,6-trimethoxybenzonitrile 
• 20781-20-8 2,4-Dimethoxybenzylamine 
• 680-31-9 N,N,N,N,N,N-hexamethylphosphoric triamide 
• 1215952-03-6 5-bromo-2,4-dimethoxybenzonitrile 
• 1422548-61-5 C₁₈H₁₂F₃N₃O₂ 
• 1422548-60-4 C₁₈H₁₂N₄O₂ 
• 1422548-59-1 C₁₈H₁₄FN₃O₃ 
• 1422548-58-0 C₁₇H₁₁BrFN₃O₂ 
• 1422548-57-9 C₁₇H₁₁F₂N₃O₂ 
• 1422548-56-8 C₁₇H₁₁ClFN₃O₂ 
• 1422548-55-7 C₁₇H₁₁ClFN₃O₂ 
• 1422548-54-6 C₁₇H₁₁Cl₂N₃O₂ 
• 1422548-53-5 C₁₇H₁₁Cl₂N₃O₂ 

Relevant articles and documents

Envirocat EPZG(R), a new catalyst for the conversion of aldoximes into nitriles

The conversion of aldoximes into nitriles was carried out at 100°C in the absence of a solvent using Envirocat EPZG(R) as a new solid supported catalyst.

Electrochemical Oxidative C?H Cyanation of Quinoxalin-2(1H)-ones with TMSCN

Both quinoxalin-2(1H)-ones and nitriles are valuable organic compounds, and it is an interesting task to introduce cyano into quinoxalin-2(1H)-ones. Herein a regioselective C?H cyanation of quinoxalin-2(1H)-ones was developed with a nucleophilic cyano source TMSCN under electrochemical oxidative conditions. This process allowed the synthesis of C3 cyanated quinoxalin-2(1H)-ones in moderate to excellent yields in the absence of transition-metal catalysts and organic hydroperoxides.

Method for catalyzing receptor-free dehydrogenation of primary amine to generate nitrile by Ru coordination compound

The invention discloses a method for catalyzing receptor-free dehydrogenation of primary amine to generate nitrile by a Ru coordination compound. The method comprises: adding a Ru coordination compound, an alkali, a primary amine and an organic solvent into a reaction test tube according to a mol ratio of 1:100:(100-500):1000-3000, and carrying out a stirring reaction under the condition of 80 to120 DEG C; and when gas chromatography monitors that the raw materials completely disappear, stopping the reaction, collecting the reaction solution, centrifuging the reaction solution, taking the supernatant, extracting with dichloromethane, merging the organic phases, drying, filtering, evaporating the organic solvent under reduced pressure to obtain a filtrate, and carrying out column chromatography purification on the filtrate to obtain the target product nitrile. According to the invention, the catalyst is good in activity, single in catalytic system, good in product selectivity, simple in subsequent treatment and good in system universality after the reaction is finished, has a good catalytic effect on various aryl, alkyl and heteroaryl substituted primary amines, and also has a gooddehydrogenation performance on secondary amines.

Zn-catalyzed cyanation of aryl iodides

We report the first example of zinc-catalyzed cyanation of aryl iodides with formamide as the cyanogen source. The transformation was promoted by the bisphosphine Nixantphos ligand. Under optimized conditions, a variety of electron-donating and electron-withdrawing aryl iodides were converted into nitrile products in good to excellent yields. This approach is an exceedingly simple and benign method for the synthesis of aryl nitriles and is likely to proceed via a dinuclear Zn-concerted catalysis.