3,4-Dimethoxybenzonitrile

Base Information

• Chemical Name: 3,4-Dimethoxybenzonitrile
• CAS No.: 2024-83-1
• Molecular Formula: C9H9NO2
• Molecular Weight: 163.176
• Hs Code.: 2926909090
• European Community (EC) Number: 217-969-2
• NSC Number: 209526,27016
• DSSTox Substance ID: DTXSID40942354
• Nikkaji Number: J126.365J
• Wikidata: Q72516261
• Mol file: 2024-83-1.mol

Synonyms:3,4-dimethoxybenzonitrile

Chemical Property of 3,4-Dimethoxybenzonitrile

Chemical Property:

• Appearance/Colour: white to light yellow crystal
• Vapor Pressure: 0.00877mmHg at 25°C
• Melting Point: 68-70 °C(lit.)
• Refractive Index: 1.519
• Boiling Point: 266.2 °C at 760 mmHg
• Flash Point: 107.5 °C
• PSA: 42.25000
• Density: 1.12 g/cm³
• LogP: 1.57548
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Soluble in methanol.
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 163.063328530
• Heavy Atom Count: 12
• Complexity: 184

Purity/Quality:

98% ^*data from raw suppliers

3,4-Dimethoxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T, Xi
• Hazard Codes: Xn,T,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C#N)OC
• Uses: 3,4-Dimethoxybenzonitrile is used as an organic chemical synthesis intermediate.

Technology Process of 3,4-Dimethoxybenzonitrile

There total 107 articles about 3,4-Dimethoxybenzonitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 97.0%

3,4-dimethoxybenzylamine (5763-61-1) → veratronitrile (2024-83-1) + N-(3,4-dimethoxybenzyl)-1-(3,4-dimethoxyphenyl)methanimine (57535-59-8) + 3,4-dimethoxy-benzaldehyde (120-14-9)

Guidance literature:

With sodium hypochlorite; In ethanol; for 0.25h; Ambient temperature;

DOI:10.1080/00397919708007077

Reference yield: 94.0%

veratramide (1521-41-1) + dimethylbromosulphonium bromide (50450-21-0) → veratronitrile (2024-83-1) + dimethyl sulfoxide (67-68-5,8070-53-9)

Guidance literature:

In acetonitrile; for 2h; Reflux;

DOI:10.1016/j.tetlet.2009.07.100

Reference yield: 91.0%

4-Bromoveratrole (2859-78-1) + sodium cyanide (143-33-9,25596-52-5) → veratronitrile (2024-83-1)

Guidance literature:

With copper(l) iodide; potassium iodide; N,N`-dimethylethylenediamine; In toluene; at 110 ℃; for 24h;

DOI:10.1021/ja0299708

upstream raw materials:

pyridine

O,N-bis-(trifluoroacetyl)-hydroxylamine

3,4-dimethoxy-benzaldehyde

benzene

Downstream raw materials:

dimethoxy-3,4 benzimidate d'ethyle

1-(3,4-dimethoxy-phenyl)-6,7-dimethoxy-3-methyl-3,4-dihydro-isoquinoline

2-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-imidazole

1-(3-hydroxy-4-methoxybenzyl)isoquinoline

Refernces

• 1、 Clive. "". . p. 1014. Retrieved 1970.
• 2、 Delcaillau, Tristan,Boehm, Philip,Morandi, Bill. "Nickel-Catalyzed Reversible Functional Group Metathesis between Aryl Nitriles and Aryl Thioethers". supporting information. p. 3723 - 3728. Retrieved 2021/04/07.
• 3、 Ma, Xiaoyun,Liu, Dan,Chen, Zhengjian. "Dehydration of aldoximes to nitriles using trichloroacetonitrile without catalyst". . p. 3261 - 3266. Retrieved 2021/06/30.