4-(2-OXOACETYL)BENZONITRILE

Base Information

• Chemical Name: 4-(2-OXOACETYL)BENZONITRILE
• CAS No.: 20099-53-0
• Molecular Formula: C9H5NO2
• Molecular Weight: 159.144
• Hs Code.: 2926909090
• Mol file: 20099-53-0.mol

Synonyms:Benzonitrile,4-(oxoacetyl)- (9CI);Benzonitrile, p-glyoxyloyl- (8CI);4-Cyanophenylglyoxal;

Chemical Property of 4-(2-OXOACETYL)BENZONITRILE

Chemical Property:

• Boiling Point: 305.114 °C at 760 mmHg
• Flash Point: 138.328 °C
• PSA: 57.93000
• Density: 1.251 g/cm³
• LogP: 0.93988

Purity/Quality:

99% ^*data from raw suppliers

4-(2-OXOACETYL)BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-(2-OXOACETYL)BENZONITRILE

There total 4 articles about 4-(2-OXOACETYL)BENZONITRILE 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: 85.0%

4-cyanophenyl methyl ketone (1443-80-7) → 4-cyanophenylglyoxal (20099-53-0)

Guidance literature:

With selenium(IV) oxide; water; In 1,4-dioxane; at 90 ℃; for 12h;

Reference yield: 64.1%

4-Cyanophenacyl bromide (20099-89-2) → 4-cyanophenylglyoxal (20099-53-0)

Guidance literature:

With water; In dimethyl sulfoxide; at 20 ℃; for 24h;

Reference yield:

4-cyanophenylacetylene (3032-92-6) → 4-cyanophenylglyoxal (20099-53-0)

Guidance literature:

With [bis(trifluoromethanesulfonyl)imidate](triphenylphosphine)gold(I); 2,3-dichloropyridine N-oxide; at 80 ℃; for 6h;

DOI:10.1021/acs.joc.9b02785

upstream raw materials:

4-cyanophenyl methyl ketone

4-Cyanophenacyl bromide

4-cyanophenylacetylene

Downstream raw materials:

1,4-di(t-butoxycarbonyl)-2-(4-cyanophenyl)piperazine

4-[4-hydroxy-5-oxo-6-benzyl-4-hydropyrazin-2-yl]benzenecarbonitrile

4-[4-(4-cyano-benzoyl)-1,9b-dihydro-5-oxa-3,3a-diaza-cyclopenta[a]naphthalen-2-yl]-benzyl alcohol

4-cyanobenzoic Acid