N-[7-ethynyl-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N₁,N₁-dimethyl-ethanediamide

Base Information

• Chemical Name: N-[7-ethynyl-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N₁,N₁-dimethyl-ethanediamide
• CAS No.: 1380665-25-7
• Molecular Formula: C₂₇H₃₀FN₅O₅
• Molecular Weight: 523.564

Synonyms:N-[7-ethynyl-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N₁,N₁-dimethyl-ethanediamide

Chemical Property of N-[7-ethynyl-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N₁,N₁-dimethyl-ethanediamide

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of N-[7-ethynyl-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N₁,N₁-dimethyl-ethanediamide

There total 5 articles about N-[7-ethynyl-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N₁,N₁-dimethyl-ethanediamide 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: 27.0%

N-[2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-7-formyl-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N',N'-dimethyl-ethanediamide (1380665-22-4) + dimethyl 1-(1-diazo-2-oxopropyl)phosphonate (90965-06-3) → N-[7-ethynyl-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N1,N1-dimethyl-ethanediamide (1380665-25-7)

Guidance literature:

With potassium carbonate; In tetrahydrofuran; methanol; for 5h;

Reference yield:

N-[7-[(acetyloxy)methyl]-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-carbamic acid phenylmethyl ester (1380665-18-8) → N-[7-ethynyl-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N1,N1-dimethyl-ethanediamide (1380665-25-7)

Guidance literature:

Multi-step reaction with 5 steps

1: hydrogen / palladium 10% on activated carbon / methanol

2: 4-methyl-morpholine; HATU / 1 h

3: sodium carbonate / acetonitrile; water; methanol / 1 h

4: Dess-Martin periodane / dichloromethane

5: potassium carbonate / tetrahydrofuran; methanol / 5 h

With 4-methyl-morpholine; hydrogen; sodium carbonate; potassium carbonate; Dess-Martin periodane; HATU; palladium 10% on activated carbon; In tetrahydrofuran; methanol; dichloromethane; water; acetonitrile;

Reference yield:

7-[(acetyloxy)methyl]-10-amino-N-[(4-fluoro-3-methylphenyl)methyl]-4,6,7,8,9,10-hexahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepine-2-carboxamide (1380665-19-9) → N-[7-ethynyl-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N1,N1-dimethyl-ethanediamide (1380665-25-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 4-methyl-morpholine; HATU / 1 h

2: sodium carbonate / acetonitrile; water; methanol / 1 h

3: Dess-Martin periodane / dichloromethane

4: potassium carbonate / tetrahydrofuran; methanol / 5 h

With 4-methyl-morpholine; sodium carbonate; potassium carbonate; Dess-Martin periodane; HATU; In tetrahydrofuran; methanol; dichloromethane; water; acetonitrile;

upstream raw materials:

N-[2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-7-formyl-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N',N'-dimethyl-ethanediamide

dimethyl 1-(1-diazo-2-oxopropyl)phosphonate

N-[7-[(acetyloxy)methyl]-2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-carbamic acid phenylmethyl ester

7-[(acetyloxy)methyl]-10-amino-N-[(4-fluoro-3-methylphenyl)methyl]-4,6,7,8,9,10-hexahydro-3-methoxy-4-oxo-7,10-ethanopyrimido[1,2-a]azepine-2-carboxamide

Downstream raw materials:

N'-[2-[[[(4-fluoro-3-methylphenyl)methyl]amino]carbonyl]-6,7,8,9-tetrahydro-3-hydroxy-4-oxo-7-(1H-1,2,3-triazol-4-yl)-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl]-N,N-dimethyl-ethanediamide

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