4-Cyano-N-methoxy-N-methylbenzamide

Base Information

• Chemical Name: 4-Cyano-N-methoxy-N-methylbenzamide
• CAS No.: 116332-64-0
• Molecular Formula: C10H10N2O2
• Molecular Weight: 190.202
• Hs Code.: 2926909090
• European Community (EC) Number: 846-775-6
• DSSTox Substance ID: DTXSID80452104
• Nikkaji Number: J1.601.928C
• Wikidata: Q82272493
• Mol file: 116332-64-0.mol

Synonyms:4-Cyano-N-methoxy-N-methylbenzamide;116332-64-0;4-Cyano-N-methoxy-N-methylbenzenecarboxamide;Benzamide, 4-cyano-N-methoxy-N-methyl-;Benzamide,4-cyano-N-methoxy-N-methyl-;4-cyano-N-methoxy-N-methyl-benzamide;SODIUMTETRAETHYLBORATE;SCHEMBL286133;DTXSID80452104;BZGBXNBROBZKLC-UHFFFAOYSA-N;N-Methoxy-N-methyl-4-cyanobenzamide;MFCD07367975;AKOS005072967;AB31533;HA-0842;AC-14385;(4-Cyanophenyl)-N-methoxy-N-methylformamide;CS-0187000;FT-0681092;EN300-1228362;A900674;J-515231;F1903-0219

Chemical Property of 4-Cyano-N-methoxy-N-methylbenzamide

Chemical Property:

• Vapor Pressure: 4.43E-06mmHg at 25°C
• Melting Point: 78-80
• Refractive Index: 1.552
• Boiling Point: 383.3 °C at 760 mmHg
• Flash Point: 185.6 °C
• PSA: 53.33000
• Density: 1.19 g/cm³
• LogP: 1.19168
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.074227566
• Heavy Atom Count: 14
• Complexity: 248

Purity/Quality:

97% ^*data from raw suppliers

4-Cyano-N-methoxy-N-methylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C(=O)C1=CC=C(C=C1)C#N)OC

Technology Process of 4-Cyano-N-methoxy-N-methylbenzamide

There total 11 articles about 4-Cyano-N-methoxy-N-methylbenzamide 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: 98.0%

carbon monoxide (201230-82-2) + 4-bromobenzenecarbonitrile (623-00-7) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → (4-cyanophenyl)-N-methoxy-N-methylformamide (116332-64-0)

Guidance literature:

With potassium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 105 ℃; for 12h; under 2250.23 Torr; Inert atmosphere; Green chemistry;

DOI:10.1039/c4ra04614e

Reference yield: 97.0%

4-cyanobenzoic Acid (619-65-8,333406-09-0) + N,0-dimethylhydroxylamine (1117-97-1) → (4-cyanophenyl)-N-methoxy-N-methylformamide (116332-64-0)

Guidance literature:

4-cyanobenzoic Acid; N,0-dimethylhydroxylamine; In toluene; at 0 ℃; for 0.166667h;

With phosphorus trichloride; In toluene; at 20 - 60 ℃; for 0.5h;

DOI:10.1055/s-0033-1340317

Reference yield: 93.0%

carbon monoxide (201230-82-2) + 4-iodobenzonitrile (3058-39-7) + N,O-dimethylhydroxylamine*hydrochloride (6638-79-5) → (4-cyanophenyl)-N-methoxy-N-methylformamide (116332-64-0)

Guidance literature:

With 1,4-diaza-bicyclo[2.2.2]octane; palladium diacetate; sodium carbonate; In acetonitrile; at 80 ℃; for 8h; under 760.051 Torr; Autoclave; Inert atmosphere;

DOI:10.1039/c4ob00729h

upstream raw materials:

N,O-dimethylhydroxylamine*hydrochloride

4-cyanobenzoyl chlorIde

N,0-dimethylhydroxylamine

4-Cyanochlorobenzene

Downstream raw materials:

4-[(3,5,5,8,8-tetramethyl-2-5,8-dihydronaphthyl)carbonyl]benzenecarbonitrile

4-cyanophenyl methyl ketone

4-cyanobenzaldehyde

4-[(3-hydroxynaphthalen-2-yl)carbonyl]benzonitrile