1-(((5S,7S)-3-(5-(2-hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H- benzo[d]imidazole-6-carbonitrile

Base Information

• Chemical Name: 1-(((5S,7S)-3-(5-(2-hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H- benzo[d]imidazole-6-carbonitrile
• CAS No.: 1419609-94-1
• Molecular Formula: C₂₅H₂₈N₆O₃
• Molecular Weight: 460.536
• Mol file: 1419609-94-1.mol

Synonyms:

Chemical Property of 1-(((5S,7S)-3-(5-(2-hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H- benzo[d]imidazole-6-carbonitrile

Chemical Property:

• Boiling Point: 682.1±65.0 °C(Predicted)
• Density: 1.35±0.1 g/cm3(Predicted)

Purity/Quality:

98% ^*data from raw suppliers

GSK2798745 98.27% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 1-(((5S,7S)-3-(5-(2-hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H- benzo[d]imidazole-6-carbonitrile

There total 13 articles about 1-(((5S,7S)-3-(5-(2-hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H- benzo[d]imidazole-6-carbonitrile 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-(5-chloropyrazin-2-yl)propan-2-ol (1240596-83-1) + 1-{[(5S,7S)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]dec-7-yl]methyl}-1H-benzimidazole-6-carbonitrile (1419610-42-6) → 1-(((5S,7S)-3-(5-(2-hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H- benzo[d]imidazole-6-carbonitrile (1419609-94-1)

Guidance literature:

With potassium phosphate; copper(l) iodide; N,N`-dimethylethylenediamine; In 1,4-dioxane; at 100 ℃; Inert atmosphere;

Reference yield: 38.0%

2-(5-bromopyrazin-2-yl)propan-2-ol (1303967-23-8) + 1-{[(5S,7S)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]dec-7-yl]methyl}-1H-benzimidazole-6-carbonitrile (1419610-42-6) → 1-(((5S,7S)-3-(5-(2-hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H- benzo[d]imidazole-6-carbonitrile (1419609-94-1)

Guidance literature:

With potassium phosphate; copper(l) iodide; trans-1,2-cyclohexanediamine; In 1,4-dioxane; at 100 ℃; for 19h;

Reference yield:

3-({[(2R,3R,7S)-7-methyl-2,3-diphenyl-1,4-dioxaspiro[4,5]dec-7-yl]methyl}amino)-4-nitrobenzonitrile (1416324-29-2) → 1-(((5S,7S)-3-(5-(2-hydroxypropan-2-yl)pyrazin-2-yl)-7-methyl-2-oxo-1-oxa-3-azaspiro[4.5]decan-7-yl)methyl)-1H- benzo[d]imidazole-6-carbonitrile (1419609-94-1)

Guidance literature:

Multi-step reaction with 5 steps

1.1: formic acid; iron / methanol; ethyl acetate / 3.5 h / 64 °C

2.1: formic acid / 18 h / 70 °C

3.1: potassium tert-butylate / dimethyl sulfoxide / 1 h / 20 - 35 °C

4.1: potassium tert-butylate / 1-methyl-pyrrolidin-2-one / 0.25 h / 100 °C

4.2: 100 - 110 °C

5.1: copper(l) iodide; potassium phosphate; N,N`-dimethylethylenediamine / 1,4-dioxane / 100 °C / Inert atmosphere

With potassium phosphate; copper(l) iodide; formic acid; potassium tert-butylate; iron; N,N`-dimethylethylenediamine; In 1,4-dioxane; 1-methyl-pyrrolidin-2-one; methanol; dimethyl sulfoxide; ethyl acetate;

upstream raw materials:

(2R,3R,7S)-7-(bromomethyl)-7-methyl-2,3-diphenyl-1,4-dioxaspiro[4.5]decane

{[(2R,3R,7S)-7-methyl-2,3-diphenyl-1,4-dioxaspiro[4.5]dec-7-yl]methyl}amine

3-({[(2R,3R,7S)-7-methyl-2,3-diphenyl-1,4-dioxaspiro[4,5]dec-7-yl]methyl}amino)-4-nitrobenzonitrile

1-{[(2R,3R,7S)-7-methyl-2,3-diphenyl-1,4-dioxaspiro[4,5]dec-7-yl]methyl}-1H-benzimidazole-6-carbonitrile