2-(4-tert-butylbenzoyl)-3,3-bis-methylsulfanyl-acrylonitrile

Base Information

• Chemical Name: 2-(4-tert-butylbenzoyl)-3,3-bis-methylsulfanyl-acrylonitrile
• CAS No.: 861966-46-3
• Molecular Formula: C₁₆H₁₉NOS₂
• Molecular Weight: 305.465
• Mol file: 861966-46-3.mol

Synonyms:2-(4-tert-butylbenzoyl)-3,3-bis-methylsulfanyl-acrylonitrile

Chemical Property of 2-(4-tert-butylbenzoyl)-3,3-bis-methylsulfanyl-acrylonitrile

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 2-(4-tert-butylbenzoyl)-3,3-bis-methylsulfanyl-acrylonitrile

There total 1 articles about 2-(4-tert-butylbenzoyl)-3,3-bis-methylsulfanyl-acrylonitrile 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:

carbon disulfide (75-15-0,12122-00-8) + 3-(4-tert-butylphenyl)-3-oxopropanenitrile (39528-62-6) + methyl iodide (74-88-4) → 2-(4-tert-butylbenzoyl)-3,3-bis-methylsulfanyl-acrylonitrile (861966-46-3)

Guidance literature:

carbon disulfide; 3-(4-tert-butylphenyl)-3-oxopropanenitrile; In dimethyl sulfoxide; at 15 - 20 ℃; for 2h;

methyl iodide; at 20 ℃; for 1h;

DOI:10.1016/j.bmcl.2006.07.035

Reference yield: 38.0%

2-(4-tert-butylbenzoyl)-3,3-bis-methylsulfanyl-acrylonitrile (861966-46-3) + bromoethyl acetate (927-68-4) → 3-(4-tert-butyl-phenyl)-4-cyano-5-methylsulfanyl-furan-2-carboxylic acid ethyl ester (861967-52-4)

Guidance literature:

bromoethyl acetate; With lithium hexamethyldisilazane; In tetrahydrofuran; at -78 ℃; for 0.166667h;

2-(4-tert-butylbenzoyl)-3,3-bis-methylsulfanyl-acrylonitrile; In tetrahydrofuran; at -78 - 20 ℃; for 6.5h;

Reference yield:

2-(4-tert-butylbenzoyl)-3,3-bis-methylsulfanyl-acrylonitrile (861966-46-3) → 3-(4-tert-butyl-phenyl)-4-cyanothiophene-2-carboxylic acid

Guidance literature:

Multi-step reaction with 3 steps

1: Et₃N / ethanol / 0.25 h / Heating

2: 30 percent / NaBH₄ / ethanol / 0 °C

3: aq. NaOH / ethanol / 20 °C

With sodium hydroxide; sodium tetrahydroborate; triethylamine; In ethanol;

DOI:10.1016/j.bmcl.2006.07.035

upstream raw materials:

carbon disulfide

3-(4-tert-butylphenyl)-3-oxopropanenitrile

methyl iodide

Downstream raw materials:

3-(4-tert-butyl-phenyl)-4-cyano-5-methylsulfanyl-furan-2-carboxylic acid ethyl ester

3-(4-tert-butyl-phenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid ethyl ester

3-(4-tert-butyl-phenyl)-4-cyano-thiophene-2-carboxylic acid ethyl ester

3-(4-tert-butyl-phenyl)-4-cyano-5-methylsulfanyl-thiophene-2-carboxylic acid