N₂-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N₂,N₈-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide

Base Information

• Chemical Name: N₂-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N₂,N₈-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide
• CAS No.: 1282526-16-2
• Molecular Formula: C₂₈H₂₉ClN₄O₄S
• Molecular Weight: 553.082

Synonyms:N₂-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N₂,N₈-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide

Chemical Property of N₂-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N₂,N₈-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide

Chemical Property:

Purity/Quality:

Safty Information:

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Technology Process of N₂-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N₂,N₈-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide

There total 6 articles about N₂-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N₂,N₈-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide 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: 31.0%

carbon monoxide (201230-82-2) + 8-bromo-N-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide (1282529-99-0) + methylamine hydrochloride (593-51-1) → N2-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N2,N8-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide (1282526-16-2)

Guidance literature:

With palladium diacetate; sodium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In toluene; at 80 ℃; under 760.051 Torr;

DOI:10.1021/jm2007084

Reference yield:

methyl 3-(8-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoate (1282529-96-7) → N2-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N2,N8-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide (1282526-16-2)

Guidance literature:

Multi-step reaction with 4 steps

1: caesium carbonate / N,N-dimethyl-formamide / 20 °C

2: lithium hydroxide monohydrate; water / tetrahydrofuran / 20 °C

3: 1-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium-3-oxide hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 20 °C / Inert atmosphere

4: palladium diacetate; sodium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / toluene / 80 °C / 760.05 Torr

With lithium hydroxide monohydrate; 1-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium-3-oxide hexafluorophosphate; water; palladium diacetate; sodium carbonate; caesium carbonate; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; N,N-dimethyl-formamide; toluene;

DOI:10.1021/jm2007084

Reference yield:

methyl 3-(8-bromo-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoate (1282529-97-8) → N2-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N2,N8-dimethyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2,8-dicarboxamide (1282526-16-2)

Guidance literature:

Multi-step reaction with 3 steps

1: lithium hydroxide monohydrate; water / tetrahydrofuran / 20 °C

2: 1-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium-3-oxide hexafluorophosphate; N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 20 °C / Inert atmosphere

3: palladium diacetate; sodium carbonate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene / toluene / 80 °C / 760.05 Torr

With lithium hydroxide monohydrate; 1-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium-3-oxide hexafluorophosphate; water; palladium diacetate; sodium carbonate; N-ethyl-N,N-diisopropylamine; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; In tetrahydrofuran; toluene;

DOI:10.1021/jm2007084

upstream raw materials:

methyl 3-(8-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoate

methyl 3-(8-bromo-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoate

3-(8-bromo-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoic acid

carbon monoxide

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