8-bromo-N-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Base Information

Chemical Name:8-bromo-N-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide
CAS No.:1282529-99-0
Molecular Formula:C₂₆H₂₅BrClN₃O₃S
Molecular Weight:574.926
Hs Code.:

Synonyms:8-bromo-N-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

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Chemical Property of 8-bromo-N-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

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Technology Process of 8-bromo-N-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

There total 13 articles about 8-bromo-N-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide 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: 94.0%

: 109-01-3
1-methyl-piperazine

: 1282529-98-9
3-(8-bromo-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamido)-4-chlorobenzoic acid

: 1282529-99-0
8-bromo-N-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Guidance literature:: With 1-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium-3-oxide hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; at 20 ℃; Inert atmosphere;
DOI:10.1021/jm2007084

Reference yield:

: 157245-84-6
ethyl 4-(3-bromophenoxy)butanoate

: 1282529-99-0
8-bromo-N-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Guidance literature:: Multi-step reaction with 10 steps

1: lithium hydroxide monohydrate; water / tetrahydrofuran / 48 h / 50 °C

2: polyphosphoric acid; celite / toluene / 5 h / 110 °C

3: N,N-dimethyl-formamide / 20 °C

4: potassium carbonate / N,N-dimethyl-formamide / 50 °C

5: lithium hydroxide monohydrate; water / tetrahydrofuran / 3 h / 50 °C

6: thionyl chloride / 2 h / 80 °C

7: pyridine / tetrahydrofuran / 20 °C

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

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

10: 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

With pyridine; thionyl chloride; lithium hydroxide monohydrate; 1-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium-3-oxide hexafluorophosphate; water; potassium carbonate; caesium carbonate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; N,N-dimethyl-formamide; toluene;
DOI:10.1021/jm2007084

Reference yield:

: 1189815-76-6
methyl 8-bromo-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxylate

: 1282529-99-0
8-bromo-N-(2-chloro-5-(4-methylpiperazine-1-carbonyl)phenyl)-N-methyl-4,5-dihydrobenzo[b]thieno[2,3-d]oxepine-2-carboxamide

Guidance literature:: Multi-step reaction with 6 steps

1: lithium hydroxide monohydrate; water / tetrahydrofuran / 3 h / 50 °C

2: thionyl chloride / 2 h / 80 °C

3: pyridine / tetrahydrofuran / 20 °C

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

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

6: 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

With pyridine; thionyl chloride; lithium hydroxide monohydrate; 1-[bis(dimethylamino)methylene]-1H-1,2,3-triazolo[4,5-b]pyridinium-3-oxide hexafluorophosphate; water; caesium carbonate; N-ethyl-N,N-diisopropylamine; In tetrahydrofuran; N,N-dimethyl-formamide;
DOI:10.1021/jm2007084