2-tert-butylthiopyrimidine

Base Information

• Chemical Name: 2-tert-butylthiopyrimidine
• CAS No.: 84358-82-7
• Molecular Formula: C8H12N2S
• Molecular Weight: 168.263
• Mol file: 84358-82-7.mol

Synonyms:2-tert-butylthiopyrimidine

Chemical Property of 2-tert-butylthiopyrimidine

Chemical Property:

• PSA: 51.08000
• LogP: 2.36720

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-tert-butylthiopyrimidine

There total 3 articles about 2-tert-butylthiopyrimidine 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: 91.0%

2-chloropyrimidine (1722-12-9,1195939-87-7) + indium tris(tert-butylthiolate) → 2-(tert-butylthio)pyrimidine (84358-82-7)

Guidance literature:

2-chloropyrimidine; With palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h; Inert atmosphere;

indium tris(tert-butylthiolate); With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 100 ℃; for 2h; Inert atmosphere;

DOI:10.1246/cl.2011.980

Reference yield: 84.0%

tert-butylmagnesium chloride (677-22-5) + 2-thiocyanatopyrimidine (89283-87-4) → 2-(tert-butylthio)pyrimidine (84358-82-7)

Guidance literature:

In tetrahydrofuran; at 0 ℃; for 1h;

Reference yield:

2-chloropyrimidine (1722-12-9,1195939-87-7) + 2-methylpropan-2-thiol (75-66-1) → 2-(tert-butylthio)pyrimidine (84358-82-7)

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) THF, room temperature, 1 h, 2.) THF, reflux, 1.3 h;

upstream raw materials:

2-chloropyrimidine

2-methylpropan-2-thiol

tert-butylmagnesium chloride

2-thiocyanatopyrimidine

Downstream raw materials:

2-thioxopyrimidine

Refernces

• 1、 Nagasaki, Izuru,Matsumoto, Miyuki,Yamashita, Masanori,Miyashita, Akira. "Synthesis of alkylthio- and arylthioheteroarenes by regioselective grignard reaction of thiocyanatoheteroarenes". . p. 1015 - 1024. Retrieved 2007/10/03.