4-Cyanophenyl hydrogen carbonate

Base Information

• Chemical Name: 4-Cyanophenyl hydrogen carbonate
• CAS No.: 76590-50-6
• Molecular Formula: C₉H₅NO₃
• Molecular Weight: 175.144
• Mol file: 76590-50-6.mol

Synonyms:4-Cyanophenyl hydrogen carbonate

Chemical Property of 4-Cyanophenyl hydrogen carbonate

Chemical Property:

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Cyanophenyl hydrogen carbonate

There total 5 articles about 4-Cyanophenyl hydrogen carbonate 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: 68.0%

4-ethenylbenzonitrile (3435-51-6) → 2-(4-cyanophenyl)-2-oxoacetic acid (76590-50-6)

Guidance literature:

With tert.-butylhydroperoxide; water; tetra-(n-butyl)ammonium iodide; In acetonitrile; at 90 ℃; for 12h; Inert atmosphere; Glovebox; Schlenk technique; Green chemistry;

DOI:10.1021/acs.orglett.1c02021

Reference yield: 63.0%

carbon dioxide (124-38-9,18923-20-1) + 4-cyanobenzaldehyde (105-07-7) → 2-(4-cyanophenyl)-2-oxoacetic acid (76590-50-6)

Guidance literature:

carbon dioxide; 4-cyanobenzaldehyde; With potassium cyanide; In N,N-dimethyl-formamide; at 12 ℃; for 1h; Schlenk technique;

With titanium(IV)isopropoxide; 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at 40 ℃; for 18h; Schlenk technique;

DOI:10.1002/anie.201806569

Reference yield: 41.0%

4-(1-hydroxy-2-nitroethyl)benzonitrile (3156-45-4) → 2-(4-cyanophenyl)-2-oxoacetic acid (76590-50-6)

Guidance literature:

With copper diacetate; In methanol; water; acetic acid; for 5h; Heating;

DOI:10.1016/S0040-4039(99)02179-6

upstream raw materials:

4-cyanophenyl methyl ketone

4-(1-hydroxy-2-nitroethyl)benzonitrile

ethyl-4-cyanobenzoylformate

carbon dioxide

Downstream raw materials:

4-cyanobenzaldehyde

N-allyl-2-azido-N-benzyl-2-(4-cyanophenyl)acetamide

4-(4-benzyl-6-formyl-3-oxo-3,4-dihydropyrazin-2-yl)benzonitrile

N-allyl-N-benzyl-2-(4-cyanophenyl)-2-oxoacetamide