4-ForMyl-2-Methoxybenzonitrile

Base Information

• Chemical Name: 4-ForMyl-2-Methoxybenzonitrile
• CAS No.: 21962-49-2
• Molecular Formula: C9H7NO2
• Molecular Weight: 161.16
• Hs Code.: 2926909090
• Mol file: 21962-49-2.mol

Synonyms:4-ForMyl-2-Methoxybenzonitrile;4-Cyano-3-methoxy-benzaldehyde

Chemical Property of 4-ForMyl-2-Methoxybenzonitrile

Chemical Property:

• Boiling Point: 343.0±27.0 °C(Predicted)
• PSA: 50.09000
• Density: 1.18±0.1 g/cm3(Predicted)
• LogP: 1.37938
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

97% ^*data from raw suppliers

4-Formyl-2-methoxybenzonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4-Formyl-2-methoxybenzonitrile is used in preparation of Trifluoromethyl substituted Imidazole Diketone derivatives for cancer treatment.

Technology Process of 4-ForMyl-2-Methoxybenzonitrile

There total 11 articles about 4-ForMyl-2-Methoxybenzonitrile 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: 90.0%

dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) + C9H6F3NO4S → 4-formyl-2-methoxybenzonitrile (21962-49-2)

Guidance literature:

With triethylsilane; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium acetate; In acetonitrile; at 25 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.202001328

Reference yield: 81.0%

zinc(II) cyanide (557-21-1) + 4,4',4''-((1,3,5-triazine-2,4,6-triyl)tris(oxy))tris(3-methoxybenzaldehyde) (25649-41-6) → 4-formyl-2-methoxybenzonitrile (21962-49-2)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 1,2-bis-(dicyclohexylphosphino)ethane; In 1,4-dioxane; at 110 ℃; for 12h; Inert atmosphere;

DOI:10.1021/acs.orglett.8b00974

Reference yield: 78.0%

4-bromo-2-methoxybenzonitrile (330793-38-9) + dicobalt octacarbonyl (15226-74-1,61091-28-9,61117-58-6) → 4-formyl-2-methoxybenzonitrile (21962-49-2)

Guidance literature:

With triethylsilane; dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH₂Cl₂; sodium acetate; In acetonitrile; at 60 ℃; for 16h; Schlenk technique; Inert atmosphere;

DOI:10.1002/ejoc.202001328

upstream raw materials:

vanillin triflate

zinc(II) cyanide

vanillin

para-nitrophenyl triflate

Downstream raw materials:

2-(methyloxy)-4-oxiran-2-ylbenzonitrile

tert-butyl (3S,9aR)-3-(4-cyano-3-methoxyphenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate

tert-butyl (3R,9aR)-3-(4-cyano-3-methoxyphenyl)hexahydropyrazino[2,1-c][1,4]oxazine-8(1H)-carboxylate

tert-butyl (3R)-4-[2-(4-cyano-3-methoxyphenyl)-2-hydroxyethyl]-3-(hydroxymethyl)piperazine-1-carboxylate