5-Pyrimidinamine, 2-(1,1-dimethylethyl)- (9CI)

Base Information

• Chemical Name: 5-Pyrimidinamine, 2-(1,1-dimethylethyl)- (9CI)
• CAS No.: 59950-55-9
• Molecular Formula: C8H13N3
• Molecular Weight: 151.211
• Mol file: 59950-55-9.mol

Synonyms:2-tert-Butyl-5-aminopyrimidine, 99%;

Chemical Property of 5-Pyrimidinamine, 2-(1,1-dimethylethyl)- (9CI)

Chemical Property:

• Boiling Point: 248.5±13.0℃ (760 Torr)
• PKA: 3.20±0.22(Predicted)
• Flash Point: 127.5±7.0℃
• PSA: 51.80000
• Density: 1.043±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 1.93750

Purity/Quality:

98%min ^*data from raw suppliers

2-(tert-Butyl)pyrimidin-5-amine 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-Pyrimidinamine, 2-(1,1-dimethylethyl)- (9CI)

There total 4 articles about 5-Pyrimidinamine, 2-(1,1-dimethylethyl)- (9CI) 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: 89.7%

N'-(2-tert-butylpyrimidin-5-yl)-N,N-dimethylformamidine → 2-tert-butyl-5-aminopyrimidine (59950-55-9)

Guidance literature:

With potassium carbonate; In water; at 91 ℃; for 24h; Inert atmosphere;

DOI:10.1021/op0501601

Reference yield:

C21H21N3 → 2-tert-butyl-5-aminopyrimidine (59950-55-9)

Guidance literature:

With hydrogenchloride; In tetrahydrofuran; water; at 20 ℃; Inert atmosphere; Large scale;

DOI:10.1021/op0501601

Reference yield:

5-Bromo-2-(1,1-dimethylethyl)pyrimidine (85929-94-8) → 2-tert-butyl-5-aminopyrimidine (59950-55-9)

Guidance literature:

Multi-step reaction with 2 steps

1: 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; sodium t-butanolate / 5,5-dimethyl-1,3-cyclohexadiene / 2 h / 125 - 130 °C / Inert atmosphere

2: hydrogenchloride / water; tetrahydrofuran / 20 °C / Inert atmosphere; Large scale

With hydrogenchloride; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; In tetrahydrofuran; 5,5-dimethyl-1,3-cyclohexadiene; water;

DOI:10.1021/op0501601

upstream raw materials:

5-Bromo-2-(1,1-dimethylethyl)pyrimidine

Downstream raw materials:

N-(2-tert-butylpyrimidin-5-yl)-3-(3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl)propanamide

Refernces