Acetonitrile, [[4-(1,1-dimethylethyl)phenyl]thio]-

Base Information

• Chemical Name: Acetonitrile, [[4-(1,1-dimethylethyl)phenyl]thio]-
• CAS No.: 7605-24-5
• Molecular Formula: C12H15NS
• Molecular Weight: 205.324
• Hs Code.: 2930909899

Synonyms:<4-tert.-Butyl-phenylthio>-acetonitril;p-t-Butylphenylthioacetonitril;<4-tert.-Butyl-phenylmercapto>-acetonitril;

Chemical Property of Acetonitrile, [[4-(1,1-dimethylethyl)phenyl]thio]-

Chemical Property:

• PSA: 49.09000
• LogP: 3.59978

Purity/Quality:

99%, ^*data from raw suppliers

[(4-tert-Butylphenyl)thio]acetonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Acetonitrile, [[4-(1,1-dimethylethyl)phenyl]thio]-

There total 4 articles about Acetonitrile, [[4-(1,1-dimethylethyl)phenyl]thio]- 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: 74.0%

benzyl(4-(tert-butyl)phenyl)sulfane (20288-40-8,21784-98-5) + 2-aminoacetonitrile hydrochloride (6011-14-9) → 2-((4-(tert-butyl)phenyl)thio)acetonitrile (7605-24-5)

Guidance literature:

With (phthalocyaninato)iron(II); sodium nitrite; In chloroform; water; at 40 ℃; for 14h; Inert atmosphere;

DOI:10.1039/C8CC08821G

Reference yield: 64.0%

4-t-butylbenzenethiol (2396-68-1) + acetonitrile (75-05-8,26809-02-9) → 2-((4-(tert-butyl)phenyl)thio)acetonitrile (7605-24-5)

Guidance literature:

With caesium carbonate; at 20 - 140 ℃; for 18h; Sealed tube;

DOI:10.1016/j.tetlet.2017.08.067

Reference yield:

chloroacetonitrile (107-14-2) + 4-t-butylbenzenethiol (2396-68-1) → 2-((4-(tert-butyl)phenyl)thio)acetonitrile (7605-24-5)

Guidance literature:

With sodium; In ethanol;

DOI:10.1021/jo01279a030

upstream raw materials:

chloroacetonitrile

4-t-butylbenzenethiol

acetonitrile

benzyl(4-(tert-butyl)phenyl)sulfane

Downstream raw materials:

<4-tert.-Butyl-benzolsulfinyl>-acetonitril

4-Methoxy-α-<4-tert-butyl-phenylsulfinyl>-zimtsaeurenitril

4-Methoxy-α-<4-tert-butyl-phenylmercapto>-zimtsaeurenitril

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