1-(2-broMophenyl)-4-oxocyclohexanecarbonitrile

Base Information

• Chemical Name: 1-(2-broMophenyl)-4-oxocyclohexanecarbonitrile
• CAS No.: 1202006-93-6
• Molecular Formula: C13H12BrNO
• Molecular Weight: 278.14448
• Hs Code.: 2926909090
• Mol file: 1202006-93-6.mol

Synonyms:1-(2-broMophenyl)-4-oxocyclohexanecarbonitrile

Chemical Property of 1-(2-broMophenyl)-4-oxocyclohexanecarbonitrile

Chemical Property:

• PSA: 40.86000
• LogP: 3.35358
• Storage Temp.: 2-8°C

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-Bromophenyl)-4-oxocyclohexanecarbonitrile 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 1-(2-broMophenyl)-4-oxocyclohexanecarbonitrile

There total 2 articles about 1-(2-broMophenyl)-4-oxocyclohexanecarbonitrile 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: 94.0%

methyl 5-(2-bromophenyl)-5-cyano-2-oxocyclohexanecarboxylate (1415388-68-9) → 1-(2-bromophenyl)-4-oxocyclohexanecarbonitrile (1202006-93-6)

Guidance literature:

With dimethyl sulfoxide; sodium chloride; at 150 ℃; for 6h; Inert atmosphere;

DOI:10.1039/c2ob26110c

Reference yield:

2-(2-bromophenyl)acetonitrile (19472-74-3) → 1-(2-bromophenyl)-4-oxocyclohexanecarbonitrile (1202006-93-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate / tetrahydrofuran / 3 h / 20 °C / Inert atmosphere

2: dimethyl sulfoxide; sodium chloride / 6 h / 150 °C / Inert atmosphere

With potassium tert-butylate; dimethyl sulfoxide; sodium chloride; In tetrahydrofuran;

DOI:10.1039/c2ob26110c

Reference yield:

1-(2-bromophenyl)-4-oxocyclohexanecarbonitrile (1202006-93-6) + ethylene glycol (107-21-1) → 8-(2-bromophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile (1393491-83-2)

Guidance literature:

With toluene-4-sulfonic acid; In toluene; for 5h; Inert atmosphere; Reflux;

DOI:10.1039/c2ob26110c

upstream raw materials:

methyl 5-(2-bromophenyl)-5-cyano-2-oxocyclohexanecarboxylate

2-(2-bromophenyl)acetonitrile

Downstream raw materials:

8-(2-bromophenyl)-1,4-dioxaspiro[4.5]decane-8-carbonitrile

Refernces