3-amino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile

Base Information

• Chemical Name: 3-amino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile
• CAS No.: 1233944-05-2
• Molecular Formula: C₂₀H₂₅N₅O
• Molecular Weight: 351.451

Synonyms:3-amino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile

Chemical Property of 3-amino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile

Chemical Property:

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Technology Process of 3-amino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile

There total 3 articles about 3-amino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-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: 74.0%

3-imino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,3,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile (1233944-04-1) → 3-amino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile (1233944-05-2)

Guidance literature:

With sodium tetrahydroborate; ethanol; at 20 ℃;

DOI:10.1016/j.ejmech.2010.04.005

Reference yield:

C16H17ClN4O → 3-amino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile (1233944-05-2)

Guidance literature:

Multi-step reaction with 2 steps

1: ethanol

2: sodium tetrahydroborate / ethanol

With sodium tetrahydroborate; In ethanol;

DOI:10.1007/s00044-010-9545-5

Reference yield:

C20H25N5O → 3-amino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile (1233944-05-2)

Guidance literature:

With sodium tetrahydroborate; In ethanol;

DOI:10.1007/s00044-010-9545-5

upstream raw materials:

3-imino-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,3,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile

Downstream raw materials:

1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-3-[(1-pyrrolidinylmethyl)-amino]-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile

1-oxo-2-phenyl-3-[(1-piperidinylmethyl)amino]-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile

3-[(1-morpholinylmethyl)amino]-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepine-4-carbonitrile

N-(4-cyano-1-oxo-2-phenyl-5-(pyrrolidin-1-yl)-1,2,4a,5,6,7,8,9-octahydropyrimido[1,6-a]azepin-3-yl)-2-[2-(2,6-dichlorophenyl)amino]phenylacetamide

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